SCHEMBL3786798

SCHEMBL3786798

CC(C)c1ccc(N)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 4/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 2/20 0.52
HTT P42858 2/20 0.52
ALOX12 P18054 1/20 0.52
HIF1A Q16665 1/20 0.52
ESR2 Q92731 1/20 0.45
HPGD P15428 2/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL8128649 0.90 TSHR (0.56) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL10333201 0.86 TSHR (0.54) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL11823576 0.82 TSHR (0.54) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL3794680 0.82 ALDH1A1 (0.57) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL1596051 0.81 TSHR (0.58) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL11466612 0.79 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL6076637 0.79 ALDH1A1 (0.58) CYP3A4ALDH1A1TSHRMAPK1GAA
SCHEMBL254524 0.78 AHR (0.50) ALDH1A1GAAHTTALOX12HIF1A
SCHEMBL29549360 0.78 ALDH1A1 (0.64) CYP3A4ALDH1A1TSHRGAAHTT
SCHEMBL741007 0.78 ALDH1A1 (0.64) CYP3A4ALDH1A1TSHRGAAHTT

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
US-20250230168-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. 2025-07-17 US disclosed
WO-2025137640-A1 AZASPIRO WRN INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-26 WO disclosed
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY MERCK SHARP & DOHME LLC (US) 2023-10-12 US disclosed
WO-2022095989-A1 P300 INHIBITORS AND USE THEREOF IN MEDICINE 贝达药业股份有限公司 2022-05-12 WO disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
US-7439382-B2 4-alkyl-2-haloaniline derivatives and process for producing the same MEIJI SEIKA KAISHA, LTD. (JP) 2008-10-21 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7238692-B2 Medical devices employing triazine compounds and compositions thereof REDDY US THERAPEUTICS, INC. (US) 2007-07-03 US disclosed
US-7169785-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2007-01-30 US disclosed
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same MEIJI SEIKA PHARMA CO., LTD. (JP) 2005-06-30 US disclosed
EP-1506954-A1 4-ALKYL-2-HALOANILINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2005-02-16 EP 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-20250230168-A1 AZASPIRO WRN INHIBITORS WRN, RECQL, BLM CYP3A4 3769/4885ALDH1A1 1316/4885TSHR 3555/4885
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP3A4 2206/4885ALDH1A1 526/4885TSHR 2124/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP3A4 177/4885ALDH1A1 4339/4885TSHR 1688/4885
US-20230322785-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY ADORA2A, ADORA2B, ADORA1 CYP3A4 3316/4885ALDH1A1 638/4885TSHR 154/4885
US-20050143454-A1 4-Alkyl-2-haloaniline derivative and process and process for producing the same NAT1, CYP4X1, HAX1 CYP3A4 7/4885ALDH1A1 441/4885TSHR 758/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP3A4 2206/4885ALDH1A1 526/4885TSHR 2124/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A CYP3A4 2206/4885ALDH1A1 526/4885TSHR 2124/4885

“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.