SCHEMBL5158510

SCHEMBL5158510

COc1ccc([N+](=O)[O-])c([C]=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPK1 P28482 5/20 0.49
HTT P42858 1/20 0.45
POLB P06746 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MERTK Q12866 1/20 0.43
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL404515 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1HTTPOLBSMN1; SMN2
SCHEMBL16953178 0.85 ALDH1A1 (0.48) ALDH1A1MAPK1HTTPOLBMCOLN3
SCHEMBL15250829 0.83 ALDH1A1 (0.47) ALDH1A1MAPK1HTTPOLBMCOLN3
SCHEMBL1662886 0.80 ALDH1A1 (0.65) ALDH1A1MAPK1HTTPOLBMCOLN3
SCHEMBL28760471 0.79 AKR1C3 (0.47) ALDH1A1MAPK1POLBSMN1; SMN2AKR1C3
SCHEMBL2354315 0.78 TSHR (0.64) ALDH1A1SMN1; SMN2CYP3A4TSHRMAPT
SCHEMBL11199415 0.78 ALDH1A1 (0.54) ALDH1A1MAPK1HTTSMN1; SMN2AKR1C3
SCHEMBL4142866 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1HTTSMN1; SMN2CYP3A4
SCHEMBL1897174 0.77 ALDH1A1 (0.57) ALDH1A1MAPK1HTTPOLBMCOLN3
SCHEMBL30686627 0.77 ALDH1A1 (0.58) ALDH1A1MAPK1HTTSMN1; SMN2CYP3A4

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022206-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS The Hong Kong University of Science and Technology (CN) 2016-05-25 EP claimed
WO-2015007222-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-22 WO claimed
EP-2403855-B1 CARBAZOLE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-05-01 EP claimed
WO-2011117668-A9 CARBAZOLE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-11 WO claimed
EP-3022206-B1 EPHA4 INHIBITORS AS NEUROPROTECTIVE AGENTS UNIV HONG KONG SCIENCE & TECH (HK) 2023-07-12 EP disclosed
US-9629830-B2 EphA4 inhibitors as neuroprotective agents THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-04-25 US disclosed
US-20160152618-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-06-02 US disclosed
EP-3022206-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS The Hong Kong University of Science and Technology (CN) 2016-05-25 EP disclosed
WO-2015007222-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-22 WO disclosed
EP-2403855-B1 CARBAZOLE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL SCIENT IND RES (IN) 2013-05-01 EP disclosed
WO-2011117668-A9 CARBAZOLE LINKED PYRROLO[2,1-C][1,4]BENZODIAZEPINE HYBRIDS AS POTENTIAL ANTICANCER AGENTS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-10-11 WO disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 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 (2 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-20160152618-A1 EphA4 INHIBITORS AS NEUROPROTECTIVE AGENTS EPHA4, EPHA1, EPHA7 ALDH1A1 1375/4885MAPK1 145/4885HTT 575/4885
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL ALDH1A1 912/4885MAPK1 1853/4885HTT 4723/4885

“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.