SCHEMBL944313

SCHEMBL944313

Cc1cccc(N=C=S)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP3A4 P08684 2/20 0.48
CYP1A2 P05177 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
ABCB11 O95342 1/20 0.48
NR3C1 P04150 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
ALOX15 P16050 1/20 0.48
ADRA2C P18825 1/20 0.48
MAOA P21397 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A4 P31645 1/20 0.48
HTR2B P41595 1/20 0.48
CCR2 P41597 1/20 0.48
HSD17B10 Q99714 1/20 0.48
APLNR P35414 1/20 0.42
POLB P06746 1/20 0.41
GABRA1 P14867 1/20 0.39

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
SCHEMBL1995839 0.89 CYP3A4 (0.60) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL348805 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL29644492 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL1416730 0.82 CYP3A4 (0.52) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL2001200 0.81 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL11514953 0.80 ALDH1A1 (0.39) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL29449627 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL17649855 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL7808363 0.79 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A2HPGDTDP1
SCHEMBL11608792 0.79 CYP3A4 (0.80) ALDH1A1CYP3A4CYP1A2HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3296309-B1 GALACTOPYRANOSYL DERIVATIVES USEFUL AS MEDICAMENTS UNIV GENT (BE) 2019-08-07 EP disclosed
US-10344016-B2 Bromotriazole intermediates AMGEN INC. (US) 2019-07-09 US disclosed
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES AMGEN INC. (US) 2019-04-04 US disclosed
US-10221162-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2019-03-05 US disclosed
EP-3436429-A1 BISCARBODIIMIDES AND POLYCARBODIIMIDES AND METHOD FOR THEIR PREPARATION Dow Global Technologies, LLC (US) 2019-02-06 EP disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-11-08 US disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
CN-106414461-B Borate-based generated base alkaline agent and alkali reactive composition containing the generated base alkaline agent 富士胶片和光纯药株式会社 2018-09-11 CN disclosed
US-10058550-B2 Methods of treating heart failure AMGEN INC. (US) 2018-08-28 US disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-5861517-A INCREASING BLOOD SERUM HIGH DENSITY LIPOPROTEINS LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-01-19 US disclosed
EP-0876355-A1 2-THIOXO-IMIDAZOLIDIN-4-ONE DERIVATIVES AND THEIR USE FOR INCREASING HDL CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION (US) 1998-11-11 EP disclosed
WO-1997019932-A1 2-THIOXO-IMIDAZOLIDIN-4-ONE DERIVATIVES AND THEIR USE FOR INCREASING HDL CHOLESTEROL CONCENTRATION AMERICAN HOME PRODUCTS CORPORATION (US) 1997-06-05 WO disclosed
US-5585487-A Method for the preparation of β-thiolactam compound JAPAN AS REPRESENTED BY DIRECTOR GENERAL OF AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1996-12-17 US disclosed
US-5554607-A INCREASING HDL CHOLESTEROL AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-10 US disclosed
US-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 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-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX ALDH1A1 2646/4885CYP3A4 3597/4885CYP1A2 3248/4885
US-20180319773-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885CYP3A4 410/4885CYP1A2 218/4885
US-20190100510-A1 BROMOTRIAZOLE INTERMEDIATES APH1A, BRDT, APH1B ALDH1A1 2621/4885CYP3A4 579/4885CYP1A2 1401/4885
US-10058550-B2 Methods of treating heart failure FABP3, TNNI3, APLNR ALDH1A1 3046/4885CYP3A4 3671/4885CYP1A2 3209/4885
US-10344016-B2 Bromotriazole intermediates APH1A, BRDT, APH1B ALDH1A1 2621/4885CYP3A4 579/4885CYP1A2 1401/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885CYP3A4 199/4885CYP1A2 105/4885
US-10221162-B2 Triazole agonists of the APJ receptor TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885CYP3A4 410/4885CYP1A2 218/4885

“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.