SCHEMBL971745

SCHEMBL971745

CCOC(=O)c1cc[c]c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HSD17B2 P37059 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
HCRTR1 O43613 1/20 0.43

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
SCHEMBL7492169 0.83 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL128776 0.81 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL9658861 0.81 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL871977 0.81 CA1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL3149483 0.80 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL17688358 0.80 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL1815817 0.79 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL4775443 0.79 HSD17B2 (0.53) CA12CA1CA2CA7CA9
SCHEMBL27532012 0.79 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL871635 0.78 SMN1; SMN2 (0.53) HPGDHTTALDH1A1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827091-A Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2012-12-19 CN claimed
CN-102276535-A Azazine mercaptoacetamide derivative and preparation method and application thereof 2011-12-14 CN claimed
US-4276295-A VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC Ishikawa, Masayuki (JP) 1981-06-30 US claimed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
CN-102827091-A Triazine mercapto derivate as well as preparation method and application thereof UNIV SHANDONG 2012-12-19 CN disclosed
CN-102276535-A Azazine mercaptoacetamide derivative and preparation method and application thereof 2011-12-14 CN disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds BASF SE (DE) 2011-01-20 US disclosed
CN-1268942-A Sulfonamide compounds and medicinal use thereof FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-04 CN disclosed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP disclosed
US-5389642-A Exhibit antagonistic properties toward angiotensin(II); useful for treatment of hypertensioni, aldosteronism, cardiac insufficiency, increased intraocular pressure and disorders of the central nervous system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1995-02-14 US disclosed
CN-1094044-A Imidazopyridine MERCK PATENT GMBH (DE) 1994-10-26 CN disclosed
EP-0602521-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1994-06-22 EP disclosed
US-4366236-A HYDROQUINONE DERIVATIVE LAYER AND A WATER INSOLUBLE POLYMER FUJI PHOTO FILM CO., LTD. (JP) 1982-12-28 US disclosed
US-4189428-A DYEABILITY, COLORFASTNESS, RESISTANCE TO SUBLIMATION, IMPROVED BRIGHTNESS EASTMAN KODAK COMPANY (US) 1980-02-19 US disclosed
US-4140683-A DISPERSE DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1979-02-20 US disclosed
US-4049643-A DYES FOR POLYESTERS EASTMAN KODAK COMPANY (US) 1977-09-20 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 (3 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-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CA12 3643/4885CA1 938/4885CA2 1874/4885
US-20110015065-A1 Substituted Sulfonic Acid Amide Compounds STS, NAPA, NAAA CA12 1436/4885CA1 292/4885CA2 1016/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 CA12 4126/4885CA1 1648/4885CA2 2414/4885

“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.