SCHEMBL1065840

SCHEMBL1065840

C1=CC(c2ccccc2)=N[N]1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 3/20 0.36
MAPK1 P28482 2/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CYP3A4 P08684 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NOTUM Q6P988 1/20 0.35
MMP3 P08254 1/20 0.35
BCL2L1 Q07817 1/20 0.35
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 2/20 0.32
MGLL Q99685 2/20 0.32
ATM Q13315 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL15716024 0.85 APP (0.48) ALDH1A1RAB9ANPC1CYP1A2CYP3A4
SCHEMBL27816061 0.85 MEN1 (0.40) ALDH1A1TAAR1CYP3A4MEN1KMT2A
SCHEMBL2764416 0.78 TDP1 (0.38) ALDH1A1RAB9ANPC1TDP1NOTUM
SCHEMBL3516703 0.78 CYP1A2 (0.39) RAB9ANPC1CYP1A2HSD17B10NOTUM
SCHEMBL28159708 0.78 ESR1 (0.46) ALDH1A1RAB9ANPC1CYP3A4HSD17B10
SCHEMBL3590067 0.78 RAB9A (0.38) ALDH1A1RAB9ANPC1HSD17B10NOTUM
SCHEMBL9466142 0.76 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL1435891 0.76 CYP2A6 (0.54) ALDH1A1CYP1A2CYP3A4HSD17B10ALOX15
SCHEMBL9466146 0.75 HPGD (0.40) RAB9ANPC1CYP3A4MEN1KMT2A
SCHEMBL27459678 0.75 MMP3 (0.45) ALDH1A1NOTUMMMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118201914-A 4-Oxo-1, 4-dihydroquinoline-3-carboxylic acid derivatives as PAPD5 and/or PAPD7 inhibitors 雷多纳治疗公司 2024-06-14 CN claimed
EP-2986601-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2017-06-07 EP claimed
EP-2809668-B1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2017-04-12 EP claimed
US-9266876-B2 4-(benzoimidazol-2-yl)-thiazole compounds and related aza derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-23 US claimed
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2014-12-18 US claimed
EP-2809668-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2014-12-10 EP claimed
WO-2013114332-A1 4-(BENZOIMIDAZOL-2-YL)-THIAZOLE COMPOUNDS AND RELATED AZA DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-08 WO claimed
EP-2324016-B1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS FERRER INT (ES) 2012-04-25 EP claimed
JP-2011526590-A 2011-10-13 JP claimed
US-20110136829-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS FERRER INTERNACIONAL, S.A. (ES) 2011-06-09 US claimed
CN-1202890-A Amino acid derivatives, the preparation and use thereof as endothelia antagonists BASF AG (DE) 1998-12-23 CN claimed
EP-0874829-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1998-11-04 EP claimed
WO-1997038982-A1 NOVEL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE BASF AKTIENGESELLSCHAFT (DE) 1997-10-23 WO claimed
WO-1997012878-A1 AMINO ACID DERIVATIVES, THE PREPARATION AND USE THEREOF AS ENDOTHELIN ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-10 WO claimed
EP-0317979-B1 Stable detergents containing optical brighteners CIBA GEIGY AG (CH) 1994-12-07 EP claimed
EP-0322564-B1 Stable detergents containing optical brighteners CIBA GEIGY AG (CH) 1994-06-15 EP claimed
US-5290755-A Plant growth regulators; fungicides BASF AKTIENGESELLSCHAFT (DE) 1994-03-01 US claimed
US-5035825-A Stable bleaching detergents containing stilbene fluorescent whitening agents CIBA-GEIGY CORPORATION (US) 1991-07-30 US claimed
EP-0322564-A2 Stable detergents containing optical brighteners CIBA-GEIGY AG (CH) 1989-07-05 EP claimed
EP-0317979-A2 Stable detergents containing optical brighteners CIBA-GEIGY AG (CH) 1989-05-31 EP claimed

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-20110136829-A1 3-(N-HETEROCYCLYL)-PYRROLIDINYL-PHENYL-OXAZOLIDINONES AS ANTIBACTERIAL AGENTS OXA1L, MRPL21, RPL5 ALDH1A1 1275/4885RAB9A 1970/4885MAPK1 2309/4885
US-20140371204-A1 4-(Benzoimidazol-2-yl)-thiazole Compounds and Related Aza Derivatives CXCR3, CXCR1, CXCR2 ALDH1A1 1249/4885RAB9A 2801/4885MAPK1 3385/4885

“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.