SCHEMBL4985802

SCHEMBL4985802

CCSc1cc(C)nc(SCC)c1NC(=O)CBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 5/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 4/20 0.36
THRB P10828 1/20 0.36
POLB P06746 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 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
SCHEMBL4983367 0.85 MAPK1 (0.39) RXFP1L3MBTL1GAAPOLBKMT2A
SCHEMBL8320455 0.82 HPGD (0.43) LMNAL3MBTL1GAAPOLBALDH1A1
SCHEMBL4486342 0.80 SOAT1 (0.46) RXFP1MAPTL3MBTL1NPSR1TP53
SCHEMBL8325262 0.78 GPR84 (0.40) RXFP1MAPTLMNAL3MBTL1NPSR1
SCHEMBL4982583 0.77 RXFP1 (0.39) RXFP1MAPTLMNAL3MBTL1NPSR1
SCHEMBL6279618 0.76 MAPT (0.43) MAPTLMNAL3MBTL1NPSR1GAA
SCHEMBL6281135 0.76 SOAT1 (0.52) LMNAL3MBTL1POLBALDH1A1MEN1
SCHEMBL4990028 0.73 NPC1 (0.69) MAPTLMNAGAAPOLBALDH1A1
SCHEMBL4985807 0.73 POLB (0.69) RXFP1MAPTLMNATP53GAA
SCHEMBL4987403 0.72 LMNA (0.67) MAPTLMNAGAAPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP 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-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
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 (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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 RXFP1 437/4885MAPT 1444/4885LMNA 4703/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 RXFP1 526/4885MAPT 930/4885LMNA 4629/4885
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 RXFP1 2019/4885MAPT 1164/4885LMNA 4085/4885

“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.