SCHEMBL4074829

SCHEMBL4074829

Cc1ccc2cccc(N)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.63
CYP1A2 P05177 4/20 0.63
ALDH1A1 P00352 7/20 0.54
CYP3A4 P08684 4/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 4/20 0.54
TSHR P16473 3/20 0.54
KEAP1 Q14145 1/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
PLAT P00750 1/20 0.53
KLK1 P06870 1/20 0.53
PRSS1 P07477 1/20 0.53
TDP1 Q9NUW8 5/20 0.50
KDM4E B2RXH2 4/20 0.50
POLB P06746 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TDP2 O95551 2/20 0.50

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
SCHEMBL31484753 1.00 CYP2A6 (0.63) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL5748743 0.84 TDP1 (0.52) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL5751285 0.84 TDP1 (0.52) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL31484741 0.83 CYP1A2 (0.63) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL4088386 0.83 CYP1A2 (0.63) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL29498396 0.77 CTDSP1 (0.63) CYP1A2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL29470563 0.77 CYP1A2 (1.00) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL597735 0.77 CYP1A2 (1.00) CYP2A6CYP1A2ALDH1A1CYP3A4HPGD
SCHEMBL29405526 0.77 CTDSP1 (0.63) CYP1A2ALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL729842 0.77 CTDSP1 (0.63) CYP1A2ALDH1A1CYP3A4HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583852-B2 Heterocycle derivative JW PHARMACEUTICAL CORPORATION (KR) 2026-03-24 US disclosed
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules WATERS TECHNOLOGIES CORPORATION (US) 2024-09-10 US disclosed
CN-111644164-B Chromatographic material for separating unsaturated molecules 沃特世科技公司 2024-03-08 CN disclosed
WO-2023177216-A1 ORGANIC ELECTRIC ELEMENT INCLUDING COMPOUND FOR ORGANIC ELECTRIC ELEMENT, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-09-21 WO disclosed
US-20230172064-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. 2023-02-16 US disclosed
US-20220259199-A1 NOVEL HETEROCYCLE DERIVATIVE JW PHARMACEUTICAL CORPORATION (KR) 2022-08-18 US disclosed
WO-2021262596-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT P53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-12-30 WO disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
EP-3822270-A1 NOVEL HETEROCYCLE DERIVATIVE JW Pharmaceutical Corporation (KR) 2021-05-19 EP disclosed
EP-1022274-A1 Oxazolidinedione and Thiazolidinedione derivatves, their preparation and their use Sankyo Company Limited (JP) 2000-07-26 EP disclosed
US-5977365-A HYPOGLYCEMIC AGENTS SANKYO COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5962470-A Heterocyclic compounds having anti-diabetic activity and their use SANKYO COMPANY, LIMITED (JP) 1999-10-05 US disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
US-5834501-A TREATING DIABETES OR HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 1998-11-10 US disclosed
US-5739345-A HYPOGLYCEMIC AND ANTIDIABETIC AGENTS SANKYO COMPANY, LIMITED (JP) 1998-04-14 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
EP-0676398-A2 Heterocyclic compounds having anti-diabetic activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1995-10-11 EP disclosed
US-4898978-A Process for the preparation of N,N'-disubstituted guanidines AKZO N.V. (NL) 1990-02-06 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 (5 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-20230046427-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION TP53, TP53BP1, HRAS CYP2A6 4025/4885CYP1A2 4522/4885ALDH1A1 2214/4885
US-20230172064-A1 HETEROCYCLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE HETEROCYCLIC COMPOUND, AND ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE CRY1, NQO1, CYP2E1 CYP2A6 679/4885CYP1A2 15/4885ALDH1A1 12/4885
US-12583852-B2 Heterocycle derivative AR, SRD5A1, NR5A1 CYP2A6 1162/4885CYP1A2 2196/4885ALDH1A1 1733/4885
US-20220259199-A1 NOVEL HETEROCYCLE DERIVATIVE AR, BRDT, NR5A1 CYP2A6 1429/4885CYP1A2 1199/4885ALDH1A1 734/4885
US-12083498-B2 Chromatographic materials for the separation of unsaturated molecules C9, EPHX2, ALOX5 CYP2A6 539/4885CYP1A2 719/4885ALDH1A1 1087/4885

“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.