SCHEMBL4480025

SCHEMBL4480025

Cc1ccc(-c2n[nH]c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
IDO1 P14902 3/20 0.71
KDM4E B2RXH2 2/20 0.71
ALPL P05186 1/20 0.71
GAA P10253 1/20 0.71
HPGD P15428 1/20 0.71
TTK P33981 1/20 0.71
MAPK10 P53779 1/20 0.71
MAPK1 P28482 4/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
MAP2K4 P45985 6/20 0.60
ITK Q08881 4/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
MAPKAPK3 Q16644 3/20 0.56
MAPK6 Q16659 3/20 0.56
MAPKAPK2 P49137 2/20 0.56

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
SCHEMBL17178615 0.84 ALDH1A1 (0.92) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL855531 0.84 ALDH1A1 (1.00) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL30768403 0.84 ALDH1A1 (1.00) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL1672674 0.81 IDO1 (0.78) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL4200287 0.81 IDO1 (0.71) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL28982378 0.81 IDO1 (0.71) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL5381079 0.81 IDO1 (0.71) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL5377572 0.81 ALDH1A1 (0.71) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL12318475 0.81 KDM4E (0.71) ALDH1A1IDO1KDM4EALPLGAA
SCHEMBL4199525 0.80 KDM4E (0.65) ALDH1A1IDO1KDM4EALPLGAA

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-3688126-B1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE SHELL INT RESEARCH (NL) 2024-06-12 EP disclosed
EP-3397740-B1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INT RESEARCH (NL) 2021-12-08 EP disclosed
US-20200263106-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL OIL COMPANY 2020-08-20 US disclosed
EP-3688126-A1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE Shell Internationale Research Maatschappij B.V. (NL) 2020-08-05 EP disclosed
US-20200224118-A1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE SHELL OIL COMPANY 2020-07-16 US disclosed
WO-2019063599-A1 LUBRICATING OIL COMPOSITION FOR INTERNAL COMBUSTION ENGINE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2019-04-04 WO disclosed
EP-3397740-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2018-11-07 EP disclosed
US-9850276-B2 Bidentate-binding modulators of LRRK2 and JNK kinases THE SCRIPPS RESEARCH INSTITUTE (US) 2017-12-26 US disclosed
WO-2017114836-A1 LUBRICATING OIL COMPOSITION FOR DIESEL ENGINES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2017-07-06 WO disclosed
US-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2016-06-30 US disclosed
EP-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed
US-7514465-B2 Synthesis of N2-(substituted arylmethyl)-3-(substituted phenyl)indazoles as novel anti-angiogenic agents YUNG SHIN PHARM. IND. CO., LTD. (TW) 2009-04-07 US disclosed
US-7514465-B2 Synthesis of N2-(substituted arylmethyl)-3-(substituted phenyl)indazoles as novel anti-angiogenic agents YUNG SHIN PHARM. IND. CO., LTD. (TW) 2009-04-07 US disclosed
EP-1331223-B1 Method of treating sepsis YUNG SHIN PHARMACEUTICAL IND (TW) 2008-02-13 EP disclosed
EP-1659115-A1 Synthesis of substituted 2H-indazole derivatives as anti-angiogenic agents Yung Shin Pharm. Ind. Co., Ltd. (TW) 2006-05-24 EP disclosed
US-20060106032-A1 Synthesis of N2 - (substituted arylmethyl) -3- (substituted phenyl) indazoles as novel anti-angiogenic agents YUNG SHIN PHARM. IND. CO., LTD. (TW) 2006-05-18 US 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-20160185818-A1 BIDENTATE-BINDING MODULATORS OF LRRK2 AND JNK KINASES LRRK2, PINK1, MAP2K3 ALDH1A1 4330/4885IDO1 2389/4885KDM4E 2312/4885
US-20060106032-A1 Synthesis of N2 - (substituted arylmethyl) -3- (substituted phenyl) indazoles as novel anti-angiogenic agents FLT4, FLT1, KDR ALDH1A1 851/4885IDO1 94/4885KDM4E 1210/4885

“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.