SCHEMBL1145765

SCHEMBL1145765

[CH2]SCc1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
IDO1 P14902 5/20 0.55
APP P05067 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47

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
SCHEMBL62037 0.81 IDO1 (0.59) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL769511 0.81 IDO1 (0.59) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL6624910 0.79 IDO1 (0.57) ALDH1A1TP53CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL5797813 0.79 IDO1 (0.60) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1145768 0.79 IDO1 (0.57) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7029366 0.78 ALDH1A1 (0.53) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL190895 0.77 IDO1 (0.55) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL7377840 0.77 IDO1 (0.58) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL31599192 0.77 IDO1 (0.60) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL12308295 0.76 ALDH1A1 (0.55) ALDH1A1TP53CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805147-B1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 EP claimed
US-8586616-B2 Benzimidazole derivatives useful as selective androgen receptor modulators (SARMS) JANSSEN PHARMACEUTICA, NV (BE) 2013-11-19 US claimed
EP-1805147-A1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-11 EP claimed
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
US-20060116412-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (sarms) JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-01 US claimed
WO-2006039243-A1 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-04-13 WO claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
EP-0900211-B1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS UPJOHN CO (US) 2003-07-02 EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-0890101-A4 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INST (US) 1999-12-08 EP claimed
EP-0944597-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1999-09-29 EP claimed
EP-0900211-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-03-10 EP claimed
EP-0890101-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1999-01-13 EP claimed
US-5847148-A Thiadiazole derivatives useful for the treatment of diseases related to connective tissue degradation PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US claimed
WO-1998023588-A9 METALLOPROTEINASE INHIBITORS 1998-09-17 WO claimed
WO-1998023588-A1 METALLOPROTEINASE INHIBITORS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-06-04 WO claimed
WO-1997040031-A1 THIADIAZOLYL(THIO)UREAS USEFUL AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1997-10-30 WO claimed
WO-1997033174-A1 SELECTIVELY N-ALKYLATED PEPTIDOMIMETIC COMBINATORIAL LIBRARIES AND COMPOUNDS THEREIN TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 1997-09-12 WO claimed

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-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 ALDH1A1 4049/4885TP53 365/4885CYP3A4 1185/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 ALDH1A1 4049/4885TP53 365/4885CYP3A4 1185/4885
US-20060116412-A1 Novel benzimidazole derivatives useful as selective androgen receptor modulators (sarms) AR, NR5A1, ESRRA ALDH1A1 752/4885TP53 2337/4885CYP3A4 266/4885

“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.