SCHEMBL404321

SCHEMBL404321

O=C(NN1C(=O)C2C3C=CC(C4CC34)C2C1=O)c1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
POLB P06746 1/20 0.66
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
MAPT P10636 2/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.54
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10029225 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18724481 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL10029256 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18724092 0.86 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18724329 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL10029236 0.86 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL406052 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL18691802 0.85 ALDH1A1 (0.76) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10029228 0.84 ALDH1A1 (0.78) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL404562 0.84 ALDH1A1 (0.78) ALDH1A1POLBMEN1KMT2AMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP claimed
US-8124643-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2012-02-28 US claimed
US-8039504-B2 heating a mixture of anti-tricyclo[3.2.2.0]non-6-ene-endo-8, endo-9-dicarboxylic acid anhydride, 4-(trifluoromethyl)benzhydrazide, and ethanol at reflux, concetrating and recrystallizing; 4-Trifluoromethyl-N- (3,3a,4,4a,5,5a,6,6a,- octahydro-1,3-dioxo-4,6- ethenocycloprop[f]isoindol- 2(1H)-yl)-benzamide SIGA TECHNOLOGIES, INC. (US) 2011-10-18 US claimed
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases SIGA TECHNOLOGIES INC. (US) 2011-01-13 US claimed
US-7737168-B2 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-06-15 US claimed
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-05-01 US claimed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US claimed
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2006-10-19 US claimed
EP-1638938-B1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECH INC (US) 2017-04-12 EP disclosed
EP-3006425-A1 PHARMACEUTICAL COMPOSITION FOR USE IN THE TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2016-04-13 EP disclosed
US-9045418-B2 Compounds, compositions and methods for treatment and prevention of Orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2015-06-02 US disclosed
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC., (US) 2014-10-23 US disclosed
US-8802714-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2014-08-12 US disclosed
US-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2013-12-26 US disclosed
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-05-01 US disclosed
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2008-01-03 US disclosed
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2007-12-13 US disclosed
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2006-10-19 US disclosed
EP-1638938-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES Siga Technologies, Inc. (US) 2006-03-29 EP disclosed
WO-2004112718-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES, INC. (US) 2004-12-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070287735-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1119/4885POLB 391/4885MEN1 4500/4885
US-20060235051-A1 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885POLB 333/4885MEN1 4313/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885POLB 333/4885MEN1 4313/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1119/4885POLB 391/4885MEN1 4500/4885
US-20110009456-A1 Compounds, Compositions and Methods for Treatment and Prevention of Orthopoxvirus Infections and Associated Diseases OTC, FAHD1, VAC14 ALDH1A1 2022/4885POLB 259/4885MEN1 4542/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885POLB 259/4885MEN1 4542/4885
US-20130345278-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885POLB 259/4885MEN1 4542/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.