SCHEMBL203116

SCHEMBL203116

O=Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 3/20 0.67
ERN1 O75460 5/20 0.50
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.41
VCAM1 P19320 1/20 0.41
PTPN1 P18031 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL30766284 1.00 TSHR (0.67) TSHRALDH1A1ERN1TDP1MAPK1
SCHEMBL29005655 0.90 TSHR (0.56) TSHRALDH1A1ERN1TDP1MAPK1
SCHEMBL18987688 0.81 ERN1 (0.53) TSHRALDH1A1ERN1TDP1VCAM1
SCHEMBL954217 0.81 ALDH1A1 (1.00) TSHRALDH1A1TDP1MAPK1GRIN2D
SCHEMBL10478010 0.78 TSHR (0.57) TSHRALDH1A1ERN1TDP1VCAM1
SCHEMBL11045708 0.74 TSHR (0.47) TSHRALDH1A1ERN1TDP1VCAM1
SCHEMBL6715667 0.74 ALDH1A1 (0.61) TSHRALDH1A1MAPK1VCAM1GRIN2D
SCHEMBL8066632 0.74 ALDH1A1 (0.75) TSHRALDH1A1TDP1MAPK1VCAM1
SCHEMBL9789842 0.73 TSHR (0.67) TSHRALDH1A1ERN1TDP1VCAM1
SCHEMBL2366617 0.73 ERN1 (0.49) TSHRALDH1A1ERN1TDP1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026536-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF GRIFFITH UNIVERSITY (AU) 2024-02-08 WO disclosed
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
EP-3428148-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2020-07-08 EP disclosed
EP-3498696-A1 ENANTIOMERICALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARASITICIDAL COMPOUNDS Merial, Inc. (US) 2019-06-19 EP disclosed
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 WO disclosed
EP-3428148-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial, Inc. (US) 2019-01-16 EP disclosed
EP-3050874-B1 ENANTIOMERIALLY ENRICHED ARYLOAZOL-2-YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL INC (US) 2019-01-09 EP disclosed
EP-3088384-B1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL INC (US) 2018-12-12 EP disclosed
WO-2010056999-A9 ENANTIOMERICALLY ENRICHED ARYLOAZOL- 2 -YL CYANOETHYLAMINO PARACITICIDAL COMPOUNDS MERIAL LIMITED (US) 2018-06-07 WO disclosed
EP-2155699-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF Merial Limited (US) 2010-02-24 EP disclosed
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL, INC. 2008-12-18 US disclosed
WO-2008144275-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF MERIAL LIMITED (US) 2008-11-27 WO disclosed
US-5786483-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G. D. SEARLE & CO. (US) 1998-07-28 US disclosed
US-5710139-A Heterocyclic compounds ASTRA AB (SE) 1998-01-20 US disclosed
EP-0736032-A1 HETEROCYCLIC COMPOUNDS Astra Aktiebolag (SE) 1996-10-09 EP disclosed
WO-1995017410-A1 HETEROCYCLIC COMPOUNDS ASTRA AKTIEBOLAG (SE) 1995-06-29 WO disclosed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US disclosed
EP-0061113-B1 METHOD FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED FLUORONITROBENZALDEHYDES BAYER AG (DE) 1984-06-06 EP disclosed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 EP 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 (3 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-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 TSHR 971/4885ALDH1A1 3354/4885ERN1 708/4885
US-20080312272-A1 ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF CYP4X1, CBR3, TYR TSHR 545/4885ALDH1A1 1677/4885ERN1 4088/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 TSHR 971/4885ALDH1A1 3354/4885ERN1 708/4885

“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.