SCHEMBL4516627

SCHEMBL4516627

CSc1cc(C)nc(SC)c1NC(=O)CN1CCN(CCSc2nc3cccc(C(F)(F)F)c3o2)CC1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 16/20 0.74
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
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
SCHEMBL6283739 0.90 SOAT1 (0.60) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL6280562 0.89 SOAT1 (0.58) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL14601907 0.88 SOAT1 (0.56) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL4513200 0.85 SOAT1 (1.00) SOAT1ALDH1A1
SCHEMBL4985821 0.85 SOAT1 (0.51) SOAT1ALDH1A1MAPT
SCHEMBL4984908 0.84 SOAT1 (0.51) SOAT1
SCHEMBL301705 0.84 SOAT1 (0.54) SOAT1ALDH1A1MAPK1
SCHEMBL1704601 0.84 SOAT1 (0.78) SOAT1KDM4EALDH1A1MAPTMAPK1
SCHEMBL4987139 0.84 SOAT1 (0.51) SOAT1
SCHEMBL4985318 0.84 SOAT1 (0.51) 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7576203-B2 Method for producing cyclic diamine derivative KOWA CO., LTD. (JP) 2009-08-18 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-7560547-B2 Hydroxyalkyl cyclic diamine compounds KOWA CO., LTD. (JP) 2009-07-14 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
US-20080045714-A1 Method for Producing Cyclic Diamine Derivative KOWA CO., LTD (JP) 2008-02-21 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS KOWA CO., LTD. (JP) 2007-04-19 US disclosed
EP-1767527-A1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE Kowa Co., Ltd. (JP) 2007-03-28 EP disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
US-7176306-B2 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2007-02-13 US disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-1571144-A1 HYDROXYALKYLATED CYCLIC DIAMINE COMPOUND Kowa Co., Ltd. (JP) 2005-09-07 EP disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound KOWA CO., LTD. (JP) 2004-09-09 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 (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-20080045714-A1 Method for Producing Cyclic Diamine Derivative SAT1, ACAT2, NAT1 SOAT1 42/4885KDM4E 924/4885ALDH1A1 94/4885
US-20040176593-A1 Hydroxyalkyl cyclic diamine compound DDC, AOC1, ODC1 SOAT1 1314/4885KDM4E 1630/4885ALDH1A1 45/4885
US-20070088159-A1 HYDROXYALKYL CYCLIC DIAMINE COMPOUNDS HDHD5, DDC, DDT SOAT1 1023/4885KDM4E 1569/4885ALDH1A1 146/4885

“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.