SCHEMBL6286103

SCHEMBL6286103

C=CC(=O)Nc1c(SC)cc(C)nc1SC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 6/20 0.41
▸ TGM2 P21980 1/20 0.41
▸ GSTO1 P78417 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ITK Q08881 1/20 0.33

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
SCHEMBL32667998 0.82 CYP1A2 (0.50) SOAT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL4492754 0.79 SOAT1 (0.47) SOAT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL9000543 0.78 ALDH1A1 (0.49) SOAT1KDM4EALDH1A1EGFR
SCHEMBL14565845 0.78 SOAT1 (0.46) SOAT1CYP1A2CYP2C9CYP2C19MEN1
SCHEMBL4985295 0.74 SOAT1 (0.50) SOAT1CYP1A2CYP2C9CYP2C19
SCHEMBL8317765 0.73 SOAT1 (0.47) SOAT1KDM4EALDH1A1
SCHEMBL8326103 0.73 SOAT1 (0.47) SOAT1KDM4EALDH1A1
SCHEMBL9000628 0.73 SOAT1 (0.45) SOAT1MEN1KMT2A
SCHEMBL8325945 0.73 SOAT1 (0.47) SOAT1KDM4EALDH1A1
SCHEMBL4990313 0.72 SOAT1 (0.46) SOAT1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 — — US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 — — EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 — — US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 — — EP 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885TGM2 778/4885GSTO1 561/4885

“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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