SCHEMBL1999332

SCHEMBL1999332

Cc1ccc(Cl)cc1C(N)=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
GLA P06280 1/20 0.59
CYP3A4 P08684 1/20 0.48
JAK2 O60674 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SIRT3 Q9NTG7 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.45
ADRA1D P25100 1/20 0.45
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL2468739 0.83 KDM4E (0.55) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL1502321 0.83 ALDH1A1 (0.48) ALDH1A1KDM4EGAAGLACYP3A4
SCHEMBL874097 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EGAAGLACYP3A4
SCHEMBL3922668 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EGAAGLACYP3A4
SCHEMBL402387 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EGAACYP3A4SMN1; SMN2
SCHEMBL3790275 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EGAAGLASMN1; SMN2
SCHEMBL8141517 0.80 KDM4E (0.50) ALDH1A1KDM4EGAAGLAJAK2
SCHEMBL8149236 0.80 KDM4E (0.50) ALDH1A1KDM4EGAAGLAJAK2
SCHEMBL21241438 0.80 RXRA (0.44) ALDH1A1KDM4EGAAGLASIRT3
SCHEMBL6888783 0.79 CYP3A4 (0.48) ALDH1A1KDM4EGAAGLACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP claimed
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO claimed
US-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ALTOS LABS, INC. 2021-10-14 US disclosed
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-08-05 US disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 EP disclosed
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 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-20210317102-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY ATF4, DDIT3, ATF1 ALDH1A1 4073/4885KDM4E 4626/4885GAA 2589/4885
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 ALDH1A1 1202/4885KDM4E 140/4885GAA 2503/4885
US-20210238164-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R ALDH1A1 2977/4885KDM4E 4387/4885GAA 2646/4885

“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.