SCHEMBL130625

SCHEMBL130625

Cc1n[nH]c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.70
KDM4E B2RXH2 5/20 0.58
GAA P10253 2/20 0.58
PDPK1 O15530 1/20 0.58
CYP3A4 P08684 1/20 0.58
IDO1 P14902 3/20 0.54
ALDH1A1 P00352 2/20 0.54
ALPL P05186 1/20 0.54
HPGD P15428 1/20 0.54
TTK P33981 1/20 0.54
MAPK10 P53779 1/20 0.54
YTHDC1 Q96MU7 1/20 0.47
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
LRRK2 Q5S007 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CHEK1 O14757 1/20 0.44
ITK Q08881 3/20 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
SCHEMBL29557196 1.00 CYP1A2 (0.70) CYP1A2KDM4EGAAPDPK1CYP3A4
Methane SCHEMBL28143132 0.98 CYP1A2 (0.68) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL31124675 0.85 CYP1A2 (0.58) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL31539742 0.85 CYP1A2 (0.53) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL6480580 0.83 CYP1A2 (1.00) CYP1A2KDM4EGAAPDPK1CYP3A4
Tert-Butyl Formate SCHEMBL27819536 0.81 CYP1A2 (0.54) CYP1A2KDM4EGAAPDPK1CYP3A4
Quinoline SCHEMBL27625393 0.81 ALDH1A1 (0.53) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL1672674 0.75 IDO1 (0.78) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL1411377 0.74 KDM4E (0.56) CYP1A2KDM4EGAAPDPK1CYP3A4
SCHEMBL27968550 0.74 MKNK1 (0.71) CYP1A2KDM4EGAAIDO1ALDH1A1

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 1244 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115209883-B Novel cell metabolism regulating compound and use thereof 新月生物科学 2025-05-20 CN claimed
WO-2024193328-A1 INDAZOLE SUBSTITUTED PODOPHYLLOTOXIN DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 汤亚杰 2024-09-26 WO claimed
CN-109180740-A The aryl ruthenium complex and its preparation method and application for treating inflammation 广西师范学院 2019-01-11 CN claimed
CN-108752389-A Treat the aryl ruthenium complex and its preparation method and application of hypertension 广西师范学院 2018-11-06 CN claimed
CN-108752391-A Treat the aryl ruthenium complex and its preparation method and application of gastric cancer 广西师范学院 2018-11-06 CN claimed
EP-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP claimed
CN-106588775-A Indazole derivative as well as preparation method and application thereof 南方医科大学 2017-04-26 CN claimed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US claimed
CN-102898374-B A kind of preparation method of 1H-indazole analog derivative SHANGHAI BEPHARM CO., LTD. (CN) 2016-03-23 CN claimed
CN-103787978-A Synthesis method of 1-methylindazole-3-formic acid ZHANGJIAGANG JIUMU TECHNOLOGY CO LTD 2014-05-14 CN claimed
US-5500443-A SCHIZOPHRENIA ADIR ET COMPAGNIE (FR) 1996-03-19 US claimed
WO-1996003437-A1 PTH OR PTHrP ANTAGONISTS SANDOZ LTD. (CH) 1996-02-08 WO claimed
EP-0669331-A1 Benzodioxane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1995-08-30 EP claimed
EP-0611375-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1994-08-24 EP claimed
WO-1993009135-A1 PEPTIDES INHIBITING IL-1 BETA RELEASE SANDOZ LTD. (CH) 1993-05-13 WO claimed
US-4978603-A Developing an emulsion layer containing a rhodium salt and a preferential grain size using a dihydroxy developer, a sulfite and an indazole compound FUJI PHOTO FILM CO., LTD. (JP) 1990-12-18 US claimed
US-4925901-A STORAGE STAABILITY, ONIUM ION CATALYST THE DOW CHEMICAL COMPANY (US) 1990-05-15 US claimed
EP-0186431-B1 ANTI-HYPERTENSIVE OCTAHYDRO-6-AZAINDOLE DIPEPTIDE DERIVATIVES Pfizer Limited (GB) 1988-02-03 EP claimed
US-4711882-A INHIBITOR OF ANGIOTENSIN CONVERTING ENZYME; HYPOTENSIVE AND CARDIOTONIC AGENTS PFIZER INC. (US) 1987-12-08 US claimed
EP-0186431-A1 Anti-hypertensive octahydro-6-azaindole dipeptide derivatives Pfizer Limited (GB) 1986-07-02 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 (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-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A CYP1A2 2921/4885KDM4E 669/4885GAA 102/4885

“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.