SCHEMBL4983367

SCHEMBL4983367

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
GAA P10253 3/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SOAT1 P35610 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC3 O15379 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC10 Q969S8 4/20 0.35
HDAC11 Q96DB2 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC4 P56524 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC9 Q9UKV0 2/20 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
SCHEMBL8320455 0.90 HPGD (0.43) MAPK1GAAPOLBHPGDL3MBTL1
SCHEMBL4985802 0.85 RXFP1 (0.40) GAAPOLBHPGDRXFP1CYP1A2
SCHEMBL4990313 0.83 SOAT1 (0.46) MAPK1GAAPOLBHPGDRXFP1
SCHEMBL4984257 0.83 SOAT1 (0.46) MAPK1GAAPOLBHPGDRXFP1
SCHEMBL4984058 0.80 MAPK1 (0.38) MAPK1GAARXFP1HDAC3HDAC1
SCHEMBL4985295 0.78 SOAT1 (0.50) MAPK1GAAPOLBHPGDRXFP1
SCHEMBL4983652 0.77 LMNA (0.64) MAPK1GAAPOLBSOAT1KMT2A
SCHEMBL4986541 0.77 LMNA (0.64) MAPK1GAAPOLBSOAT1KMT2A
SCHEMBL4983723 0.77 LMNA (0.64) MAPK1GAAPOLBSOAT1KMT2A
SCHEMBL4983244 0.77 LMNA (0.64) MAPK1GAAPOLBSOAT1KMT2A

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 7 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-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-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 (2 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 MAPK1 3555/4885GAA 1670/4885POLB 4033/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 MAPK1 2912/4885GAA 1343/4885POLB 4025/4885

“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.