Sugi Predict

Sugi Predict / Compounds / SCHEMBL2138267

SCHEMBL2138267

SCHEMBL2138267

Cc1ccc(-c2ccccc2)cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.54
▸ MCL1 Q07820 2/20 0.50
▸ ALDH1A1 P00352 8/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ GAA P10253 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ CYP11B1 P15538 1/20 0.46
▸ CYP11B2 P19099 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ AR P10275 3/20 0.42

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
SCHEMBL19608728 0.86 AR (0.56) TSHRALDH1A1KDM4EGAANPSR1
SCHEMBL19373008 0.84 TSHR (0.54) TSHRMCL1ALDH1A1KDM4EGAA
SCHEMBL2352315 0.84 TSHR (0.54) TSHRMCL1ALDH1A1KDM4EGAA
SCHEMBL26582168 0.84 ABCG2 (0.49) TSHRALDH1A1KDM4ENPSR1HPGD
SCHEMBL21036119 0.83 TSHR (0.46) TSHRMCL1ALDH1A1NPSR1TDP1
SCHEMBL7626603 0.83 CLK4 (0.47) TSHRALDH1A1CYP1A2AR
SCHEMBL769249 0.81 ALDH1A1 (0.62) MCL1ALDH1A1KDM4EGAAGLA
SCHEMBL19579293 0.80 ALDH1A1 (0.38) TSHRMCL1ALDH1A1KDM4EGAA
SCHEMBL20739844 0.79 ALDH1A1 (0.51) TSHRMCL1ALDH1A1KDM4EGAA
SCHEMBL19697267 0.79 ALDH1A1 (0.37) TSHRMCL1ALDH1A1KDM4EGAA

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109020835-B Preparation method of medical intermediate sartanbiphenyl 哈尔滨斗牛生物科技有限公司 2021-11-16 — — CN disclosed
WO-2021154966-A1 COMPOUNDS AND COMPOSITIONS FOR USE IN TREATING SKIN DISORDERS KAMARI PHARMA LTD. (IL) 2021-08-05 — — WO disclosed
CN-109020835-A A kind of preparation method of medicine intermediate sartanbiphenyl 福州盛世凌云环保科技有限公司 2018-12-18 — — CN disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 — — US disclosed
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 — — US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 — — US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 — — EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 — — US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 — — US disclosed
CN-1303043-C Process for producing biaryl compound SUMITOMO CHEMICAL CO (JP) 2007-03-07 — — CN disclosed
CN-1642879-A Process for preparing diaryl compounds SUMITOMO CHEMICAL CO (JP) 2005-07-20 — — CN disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 — — US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 — — EP disclosed
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-26 — — US disclosed
US-6762197-B2 FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-07-13 — — US disclosed
JP-2003206270-A METHOD OF PRODUCTION FOR 2-METHYL-5-PHENYLBENZONITRILE SUMITOMO CHEM CO LTD 2003-07-22 — — JP disclosed
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-06-26 — — US disclosed
EP-1238975-A1 DIFLUOROMETHYLTRIAZOLONE COMPOUNDS, USE OF THE SAME AND INTERMEDIATES FOR THE PRODUCTION THEREOF Sumitomo Chemical Company, Limited (JP) 2002-09-11 — — EP disclosed
US-5736555-A HYPOTENSIVE AGENTS; FDA ORANGE BOOK LISTED PATENT FOR AZILSARTAN MEDOXOMIL TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-07 — — 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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885MCL1 290/4885ALDH1A1 1191/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885MCL1 290/4885ALDH1A1 1191/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR TSHR 915/4885MCL1 290/4885ALDH1A1 1191/4885
US-20040167193-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 TSHR 2768/4885MCL1 399/4885ALDH1A1 466/4885
US-20030119670-A1 Difluoromethyltriazolone compounds, use of the same and intermediates for the production thereof CYP51A1, DPM1, CYP1A1 TSHR 2768/4885MCL1 399/4885ALDH1A1 466/4885

“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.