SCHEMBL4486342

SCHEMBL4486342

CSc1cc(C)nc(SC)c1NC(=O)CBr

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.46
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL4492754 0.87 SOAT1 (0.47) SOAT1RXFP1CYP1A2CYP2C9CYP2C19
SCHEMBL4985295 0.86 SOAT1 (0.50) SOAT1RXFP1CYP1A2CYP2C9CYP2C19
SCHEMBL9000543 0.85 ALDH1A1 (0.49) SOAT1ALDH1A1KDM4EMAPTTP53
SCHEMBL14565845 0.85 SOAT1 (0.46) SOAT1RXFP1CYP1A2CYP2C9CYP2C19
SCHEMBL4984257 0.84 SOAT1 (0.46) SOAT1RXFP1KMT2AGAA
SCHEMBL4990313 0.84 SOAT1 (0.46) SOAT1RXFP1KMT2AGAA
SCHEMBL32667998 0.83 CYP1A2 (0.50) SOAT1CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6282771 0.81 CYP2C9 (0.34) SOAT1RXFP1CYP1A2CYP2C9CYP2C19
SCHEMBL13755905 0.81 SOAT1 (0.35) SOAT1RXFP1CYP1A2CYP2C9CYP2C19
SCHEMBL4985802 0.80 RXFP1 (0.40) RXFP1CYP1A2ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1627875-B1 METHOD FOR PRODUCING CYCLIC DIAMINE DERIVATIVE OR SALT THEREOF KOWA CO (JP) 2013-07-31 EP disclosed
EP-1460065-B1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF KOWA CO (JP) 2012-12-05 EP disclosed
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-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-7459552-B2 Method for producing cyclic diamine derivative or salt thereof KOWA CO., LTD. (JP) 2008-12-02 US disclosed
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof KOWA CO., LTD. (JP) 2005-02-10 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
EP-1460065-A1 PROCESSES FOR PRODUCTION OF CYCLIC DIAMINE COMPOUNDS OR SALTS THEREOF Kowa Co., Ltd. (JP) 2004-09-22 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
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 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 (4 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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 SOAT1 9/4885RXFP1 437/4885CYP1A2 392/4885
US-20050032814-A1 Process for production of cyclic diamine compounds or salts thereof SRM, DDC, QDPR SOAT1 3634/4885RXFP1 2541/4885CYP1A2 595/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 SOAT1 23/4885RXFP1 526/4885CYP1A2 490/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 SOAT1 5/4885RXFP1 2019/4885CYP1A2 872/4885

“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.