SCHEMBL6283739

SCHEMBL6283739

CCSc1cc(C)nc(SCC)c1NC(=O)CN1CCN(CCSc2nc3cccc(C(F)(F)F)c3o2)CC1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 16/20 0.60
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
CETP P11597 1/20 0.36

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
SCHEMBL6391904 0.93 SOAT1 (0.61) SOAT1KDM4EALDH1A1
SCHEMBL4516627 0.90 SOAT1 (0.74) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6280562 0.88 SOAT1 (0.58) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL14601907 0.88 SOAT1 (0.56) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6279639 0.86 SOAT1 (0.59) SOAT1MAPT
SCHEMBL4983760 0.86 SOAT1 (0.46) SOAT1
SCHEMBL6280133 0.85 SOAT1 (0.81) SOAT1ALDH1A1
SCHEMBL4983288 0.85 RAB9A (0.46) SOAT1ALDH1A1MAPT
SCHEMBL4985757 0.85 SOAT1 (0.48) SOAT1
SCHEMBL4985852 0.84 SOAT1 (0.49) SOAT1

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 5/4885KDM4E 1460/4885ALDH1A1 307/4885

“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.