SCHEMBL496589

SCHEMBL496589

Cn1nc(C(=O)O)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.62
CYP3A4 P08684 2/20 0.51
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTR3A P46098 3/20 0.49
HTR3E A5X5Y0 2/20 0.49
HTR3B O95264 2/20 0.49
HTR3D Q70Z44 2/20 0.49
HTR3C Q8WXA8 2/20 0.49
SLC22A2 O15244 1/20 0.49
CHRNB2 P17787 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
KCNH2 Q12809 1/20 0.49
SLC47A1 Q96FL8 1/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL30251861 1.00 KDM4E (0.62) KDM4ECYP3A4TSHRALDH1A1MAPK1
Hydrochloric Acid SCHEMBL1563376 0.98 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL27677437 0.89 CYP3A4 (0.54) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL7299469 0.88 KDM4E (0.54) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL7297926 0.85 KDM4E (0.62) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL30467838 0.85 KDM4E (0.62) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL260569 0.84 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL992781 0.84 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL29789796 0.84 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1
SCHEMBL31632586 0.84 KDM4E (0.60) KDM4ECYP3A4TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511731-B Olefin compounds as modulators of the farnesol X receptor 百时美施贵宝公司 2023-05-23 CN claimed
CN-114980550-B Circuit board ink stripping agent and circuit board ink stripping method 昆山市板明电子科技有限公司 2022-11-22 CN claimed
CN-114980550-A Circuit board ink stripping agent and circuit board ink stripping method 昆山市板明电子科技有限公司 2022-08-30 CN claimed
US-20220096454-A1 CARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2022-03-31 US claimed
CN-108350034-B Antimicrobial polymyxin derived compounds 莫纳什大学 2022-03-11 CN claimed
CN-109589271-A A kind of high moisturizing Face-protecting mask and preparation method thereof 晏玉 2019-04-09 CN claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
CN-106008540-A Heterocyclic aromatic acid ester type podophyllotoxin derivatives with anti-tumor activity as well as preparation method and application 遵义医学院 2016-10-12 CN claimed
CN-103787978-A Synthesis method of 1-methylindazole-3-formic acid ZHANGJIAGANG JIUMU TECHNOLOGY CO LTD 2014-05-14 CN claimed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US claimed
US-20040248960-A1 Process for preparing 1-methylindazole-3-carboxylic acid CHEMAGIS LTD. (IL) 2004-12-09 US claimed
EP-1484321-A1 Process for preparing 1-methylindazole-3-carboxylic acid Chemagis Ltd. (IL) 2004-12-08 EP claimed
CN-1429816-A New method of preparing Granisetron intermediate NINGBO TIANHENG PHARMACEUTICAL (CN) 2003-07-16 CN claimed
EP-0772613-B1 PROCESS FOR THE PRODUCTION OF AMINOAZOBICYCLOALKANES FROM OXIMES HOFFMANN LA ROCHE (CH) 2001-11-21 EP claimed
WO-2001055109-A1 AROMATIC AMIDES ACTING ON MELANOCORTIN RECEPTORS MELACURE THERAPEUTICS AB (SE) 2001-08-02 WO claimed
EP-0323105-B1 Process for the preparation of 3-methylindazole-3-carboxylic acid BEECHAM GROUP PLC (GB) 1999-10-20 EP claimed
US-5856489-A Process for the production of aminoazobicycloalkanes from oximes SMITHKLINE BEECHAM P.L.C. (GB) 1999-01-05 US claimed
EP-0772613-A2 PROCESS FOR THE PRODUCTION OF AMINOAZOBICYCLOALKANES FROM OXIMES SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP claimed
WO-1996003401-A2 PROCESS FOR THE PRODUCTION OF AMINOAZOBICYCLOALKANES FROM OXIMES SMITHKLINE BEECHAM PLC (GB) 1996-02-08 WO claimed
EP-0323105-A1 Novel process BEECHAM GROUP PLC (GB) 1989-07-05 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-20220096454-A1 CARBOXYLIC ACID DERIVATIVES IRAK1, TANK, TRAF6 KDM4E 563/4885CYP3A4 2752/4885TSHR 1999/4885
US-20040248960-A1 Process for preparing 1-methylindazole-3-carboxylic acid CYP3A43, CMA1, CYP3A7 KDM4E 1437/4885CYP3A4 5/4885TSHR 2636/4885

“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.