SCHEMBL4985807

SCHEMBL4985807

CCSc1cc(C)nc(SCC)c1NC(=O)CSc1nc2ccccc2o1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.69
RAB9A P51151 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
ALDH1A1 P00352 4/20 0.69
NPC1 O15118 2/20 0.62
TSHR P16473 5/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 6/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 1/20 0.56
SOAT1 P35610 1/20 0.55
TP53 P04637 1/20 0.55
HTT P42858 1/20 0.54
GLA P06280 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL4990202 0.89 SOAT1 (0.58) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4990455 0.88 SOAT1 (0.61) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1
SCHEMBL4981677 0.87 SOAT1 (0.63) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1
SCHEMBL4984327 0.87 SOAT1 (0.63) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1
SCHEMBL4982586 0.87 SOAT1 (0.63) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1
SCHEMBL4984033 0.87 SOAT1 (0.63) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1
SCHEMBL4982037 0.87 SOAT1 (0.70) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4984513 0.85 POLB (0.67) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL4985801 0.85 RAB9A (0.67) POLBRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL6280133 0.83 SOAT1 (0.81) POLBRAB9ASMN1; SMN2ALDH1A1SOAT1

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 POLB 4033/4885RAB9A 4297/4885SMN1; SMN2 2877/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 POLB 4025/4885RAB9A 4258/4885SMN1; SMN2 2534/4885

“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.