SCHEMBL2129775

SCHEMBL2129775

c1ccc(Cc2cccnn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CALM1 P0DP23 1/20 0.46
CYP1A2 P05177 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
VNN1 O95497 1/20 0.40
MAOB P27338 1/20 0.40
CHRM1 P11229 1/20 0.39
HRH1 P35367 1/20 0.39
CES1 P23141 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KCNH2 Q12809 1/20 0.39
BRD4 O60885 1/20 0.39
TAAR1 Q96RJ0 2/20 0.38
HTR2C P28335 1/20 0.38
CD74 P04233 1/20 0.38
MIF P14174 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL6131012 0.85 CYP1A2 (0.40) ALDH1A1CYP1A2L3MBTL1CHRM1HRH1
SCHEMBL3076036 0.84 CYP1A2 (0.47) ALDH1A1CYP1A2VNN1CHRM1HRH1
SCHEMBL28210941 0.82 CYP1A2 (0.38) ALDH1A1CYP1A2L3MBTL1VNN1CHRM1
SCHEMBL29349000 0.82 ESR1 (0.48) ALDH1A1CYP1A2L3MBTL1TAAR1CD74
SCHEMBL28188196 0.81 KCNH2 (0.57) ALDH1A1CYP1A2VNN1MAOBCES1
SCHEMBL24662607 0.77 MAOB (0.43) CYP1A2L3MBTL1MAOBRAB9ASMN1; SMN2
SCHEMBL29182424 0.77 TAAR1 (0.46) ALDH1A1HRH1KCNH2TAAR1CYP2D6
SCHEMBL30861999 0.77 TAAR1 (0.46) ALDH1A1HRH1KCNH2TAAR1CYP2D6
SCHEMBL29076301 0.77 CYP2D6 (0.46) CYP1A2TAAR1HTR2CCYP2D6
SCHEMBL28174339 0.77 LTA4H (0.52) ALDH1A1RAB9ASMN1; SMN2MIFLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024078365-A1 HERBICIDAL COMPOSITION COMPRISING 3-(2-CHLORO-4-FLUORO-5-(3-METHYL-2,6-DIOXO-4-TRIFLUOROMETHYL-3,6-DIHYDROPYRIMIDINE-1(2H)-YL)PHENYL)-5-METHYL-4,5-DIHYDROISOXAXOLE-5-CABOXYLIC ACID ETHYL ESTER AND GLUFOSINATE-P AND USE THEREOF 南通江山农药化工股份有限公司 2024-04-18 WO claimed
US-20160102184-A1 MICROPOROUS POLYIMIDE SPONGE AND METHOD FOR PRODUCING THE SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-14 US claimed
WO-1999018082-A1 NOVEL SUBSTITUTED PYRIDAZINONES BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO claimed
WO-2024078365-A1 HERBICIDAL COMPOSITION COMPRISING 3-(2-CHLORO-4-FLUORO-5-(3-METHYL-2,6-DIOXO-4-TRIFLUOROMETHYL-3,6-DIHYDROPYRIMIDINE-1(2H)-YL)PHENYL)-5-METHYL-4,5-DIHYDROISOXAXOLE-5-CABOXYLIC ACID ETHYL ESTER AND GLUFOSINATE-P AND USE THEREOF 南通江山农药化工股份有限公司 2024-04-18 WO disclosed
US-10442894-B2 Microporous polyimide sponge and method for producing the same INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2019-10-15 US disclosed
US-20170298185-A1 MICROPOROUS POLYIMIDE SPONGE AND METHOD FOR PRODUCING THE SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2017-10-19 US disclosed
US-20160102184-A1 MICROPOROUS POLYIMIDE SPONGE AND METHOD FOR PRODUCING THE SAME INDUSTRY-ACADEMIC COOPERATION FOUNDATION, YONSEI UNIVERSITY (KR) 2016-04-14 US disclosed
EP-2220073-B1 PYRIDAZINONE DERIVATIVES AS PARP INHIBITORS MSD ITALIA SRL (IT) 2014-09-03 EP disclosed
CN-101855221-B Pyridazinone derivatives as PARP inhibitors ANGELETTI P IST RICHERCHE BIO 2013-10-30 CN disclosed
US-8541380-B2 C-aryl glucoside SGLT2 inhibitors and pharmaceutical compositions comprising same GREEN CROSS CORPORATION (KR) 2013-09-24 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists ELI LILLY COMPANY (US) 2005-10-27 US disclosed
CN-1646502-A Triazole derivatives as tachykinin receptor antagonists LILLY CO ELI (US) 2005-07-27 CN disclosed
EP-1501809-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-02-02 EP disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
EP-1194411-B1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2004-06-16 EP disclosed
CN-1505635-A Synthesis method of 2 ', 3' -dideoxy-2 ', 3' -didehydronucleoside 2004-06-16 CN disclosed
WO-2003091226-A1 TRIAZOLE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2003-11-06 WO disclosed
EP-1194411-A1 BENZOYLPYRIDAZINES MERCK PATENT GmbH (DE) 2002-04-10 EP disclosed
WO-2001004099-A1 BENZOYLPYRIDAZINES MERCK PATENT GMBH (DE) 2001-01-18 WO 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 (1 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-20050239786-A1 Triazole derivatives as tachykinin receptor antagonists TACR1, TACR2, BDKRB1 ALDH1A1 1408/4885CALM1 2143/4885CYP1A2 2348/4885

“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.