SCHEMBL2174125

SCHEMBL2174125

CCc1sc(N)nc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
MAPT P10636 3/20 1.00
CYP1A2 P05177 3/20 0.64
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 2/20 0.58
GAA P10253 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.54
HSD17B10 Q99714 3/20 0.54
KDM4E B2RXH2 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
AR P10275 1/20 0.51
POLB P06746 1/20 0.50
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
FBP1 P09467 1/20 0.47
GLA P06280 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
Hydrochloric Acid SCHEMBL6371660 0.97 ALDH1A1 (0.93) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL14726501 0.86 ALDH1A1 (0.76) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL10475629 0.83 ALDH1A1 (0.71) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL6958722 0.83 MAPT (0.71) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL27995931 0.83 HTT (0.77) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL27710944 0.82 ALDH1A1 (0.70) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL32672114 0.81 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL18391844 0.81 ALDH1A1 (0.69) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL11470347 0.81 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2CYP2D6CYP2C19
SCHEMBL8559371 0.81 ALDH1A1 (0.68) ALDH1A1MAPTCYP1A2GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2398771-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2011-12-28 EP claimed
WO-2010096371-A2 HETEROCYCLIC COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-26 WO claimed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed
CN-115433958-B Electrochemical synthesis method of 2-aminothiazole compound 北京工商大学 2025-02-21 CN disclosed
CN-115433958-A Electrochemical synthesis method of 2-aminothiazole compound 北京工商大学 2022-12-06 CN disclosed
WO-2021127301-A1 4-PHENYL-N-(PHENYL)THIAZOL-2-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS FOR THE TREATMENT OF E.G. ANGIOGENESIS IMPLICATED OR INFLAMMATORY DISORDERS Ikena Oncology, Inc. (US) 2021-06-24 WO disclosed
CN-108699035-A Noval chemical compound 特殊治疗有限公司 2018-10-23 CN disclosed
EP-2443107-B1 AZETIDINE 2 -CARBOXAMIDE DERIVATIVES WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2018-08-08 EP disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 US disclosed
US-9630947-B2 Therapeutic compounds and related methods of use OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-25 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 US disclosed
WO-2009068467-A1 AMINOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-04 WO disclosed
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2005-11-10 US disclosed
US-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-16 US disclosed
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2004-12-09 US disclosed
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PHARMACIA & UPJOHN COMPANY 2003-12-25 US disclosed
WO-2003093250-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY (US) 2003-11-13 WO disclosed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 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 (7 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-20040254373-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MAPT 1550/4885CYP1A2 1827/4885
US-20030236287-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MAPT 1550/4885CYP1A2 1827/4885
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 ALDH1A1 802/4885MAPT 4008/4885CYP1A2 571/4885
US-20040249150-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNB1, CHRM1 ALDH1A1 2007/4885MAPT 1550/4885CYP1A2 1827/4885
US-20090143448-A1 NEW AMINOTHIAZOLES AS FBPASE INHIBITORS FOR DIABETES FBP1, SLC5A1, DPP4 ALDH1A1 525/4885MAPT 1274/4885CYP1A2 2012/4885
US-20050250816-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA7, CHRNA1, CHRNA5 ALDH1A1 2742/4885MAPT 1395/4885CYP1A2 1913/4885
US-20170217923-A1 THERAPEUTIC COMPOUNDS AND RELATED METHODS OF USE PPP4C, PTPRG, PPP2CA ALDH1A1 2216/4885MAPT 519/4885CYP1A2 4552/4885

“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.