SCHEMBL10029258

SCHEMBL10029258

O=C(NN1C(=O)[C@@H]2C3C=CC(C4CC43)[C@@H]2C1=O)c1ccccn1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
GAA P10253 4/20 0.51
GRM4 Q14833 1/20 0.44
GRM1 Q13255 1/20 0.44
GRM5 P41594 1/20 0.44
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL403316 1.00 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL10029229 0.79 MEN1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL404565 0.79 MEN1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL402371 0.76 KMT2A (0.60) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL404251 0.75 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL18724329 0.74 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL406052 0.74 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL21099292 0.74 GRM4 (0.53) SMN1; SMN2KMT2AGAAGRM4GRM5
SCHEMBL10029232 0.73 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2KMT2AMEN1GAA
SCHEMBL25215843 0.71 LMNA (0.60) ALDH1A1KMT2AMEN1GRM4GRM5

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 28 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 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-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-8530509-B2 Compounds, compositions and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2013-09-10 US disclosed
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 disclosed
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 disclosed
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC. (US) 2012-01-26 US disclosed
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES SIGA TECHNOLOGIES INC. (US) 2012-01-26 US disclosed
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 disclosed
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 disclosed
US-7687641-B2 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-03-30 US disclosed
US-7687641-B2 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases SIGA TECHNOLOGIES, INC. (US) 2010-03-30 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-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-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-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

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

For each of this compound's patents that has machine-readable text (5 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 1119/4885SMN1; SMN2 3328/4885KMT2A 2662/4885
US-20080103181-A9 Compounds, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1899/4885SMN1; SMN2 2395/4885KMT2A 3334/4885
US-20080004452-A1 Chemicals, compositions, and methods for treatment and prevention of orthopoxvirus infections and associated diseases OTC, FAHD1, OAT ALDH1A1 1119/4885SMN1; SMN2 3328/4885KMT2A 2662/4885
US-20140316145-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885KMT2A 3490/4885
US-20120020922-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PREVENTION OF ORTHOPOXVIRUS INFECTIONS AND ASSOCIATED DISEASES OTC, FAHD1, VAC14 ALDH1A1 2022/4885SMN1; SMN2 2623/4885KMT2A 3490/4885

“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.