SCHEMBL5212092

SCHEMBL5212092

COc1ccc(SCCN)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ AR P10275 3/20 0.50
▸ CA2 P00918 2/20 0.45
▸ ALDH1A1 P00352 5/20 0.44
▸ HTT P42858 3/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ ACHE P22303 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GAA P10253 1/20 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
Hydrochloric Acid SCHEMBL19462138 0.98 KDM4E (0.52) KDM4EATMARCA2ALDH1A1
SCHEMBL24175083 0.84 AR (0.50) KDM4EATMARCA2ALDH1A1
SCHEMBL10848119 0.82 AR (0.49) KDM4EATMARCA2ALDH1A1
SCHEMBL11155997 0.81 AR (0.52) KDM4EATMARCA2ALDH1A1
SCHEMBL1302701 0.80 HTT (0.47) ARCA2ALDH1A1HTTLMNA
SCHEMBL11162193 0.80 HTR2A (0.55) ARACHECA9MAPTCYP19A1
SCHEMBL10854280 0.79 AR (0.51) ARCA2ALDH1A1HTTLMNA
SCHEMBL2759472 0.79 AR (0.49) KDM4EATMARCA2ALDH1A1
SCHEMBL11663137 0.78 AR (0.50) KDM4EARCA2ALDH1A1HTT
SCHEMBL11661599 0.78 ALDH1A1 (0.50) ARCA2ALDH1A1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017180769-A1 SMALL MOLECULES FOR IMMUNOGENIC TREATMENT OF CANCER CAPTEN THERAPEUTICS INC. (US) 2017-10-19 — — WO disclosed
EP-1347967-B1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2007-12-19 — — EP disclosed
US-7192950-B2 Benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS, LTD. (CH) 2007-03-20 — — US disclosed
US-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2004-03-25 — — US disclosed
EP-1347967-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2003-10-01 — — EP disclosed
WO-2002051838-A1 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES WHICH ARE USEFUL AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 — — WO disclosed
WO-2002051232-A2 NOVEL BENZAZEPINES AND RELATED HETEROCYCLIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2002-07-04 — — WO disclosed
US-4415591-A MIXTURE WITH A MONOAMINE OXIDASE GEORGIA TECH RESEARCH INSTITUTE (US) 1983-11-15 — — 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 (1 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-20040058912-A1 Novel benzazepines and related heterocyclic derivatives which are useful as orexin receptor antagonists HCRTR2, HCRTR1, OXTR KDM4E 1024/4885ATM 4723/4885AR 732/4885

“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.

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