SCHEMBL9890736

SCHEMBL9890736

NC(=O)Cc1ccccc1-c1ccc(F)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ICMT O60725 9/20 0.56
PTGS2 P35354 3/20 0.51
PTGS1 P23219 2/20 0.51
EPHB4 P54760 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC9A1 P19634 2/20 0.46
CHRM1 P11229 1/20 0.44
CASP1 P29466 1/20 0.43
CHRM3 P20309 1/20 0.40

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
SCHEMBL9890737 0.89 ICMT (0.44) ICMTPTGS2PTGS1CYP2C19
SCHEMBL2393685 0.87 KCNA5 (0.43) ICMTPTGS2CYP2C19
SCHEMBL6184923 0.82 CYP2C19 (0.64) PTGS2PTGS1CYP2C19
SCHEMBL2393760 0.81 CHRM1 (0.56) CYP2C19SLC9A1CHRM1CHRM3
SCHEMBL9289358 0.80 PTGS2 (0.57) PTGS2PTGS1CYP2C19CHRM1CHRM3
SCHEMBL2391279 0.80 CYP2C19 (0.48) ICMTCYP2C19SLC9A1CHRM1CHRM3
SCHEMBL2393365 0.80 CYP2C19 (0.43) ICMTPTGS2CYP2C19CHRM1CHRM3
SCHEMBL2390396 0.80 KCNJ5 (0.49) CYP2C19
SCHEMBL2397118 0.79 CHRM3 (0.44) ICMTCYP2C19CHRM1CHRM3
SCHEMBL2395669 0.79 ATR (0.39) ICMTPTGS2CYP2C19CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 ICMT 2894/4885PTGS2 2051/4885PTGS1 2007/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 ICMT 2894/4885PTGS2 2051/4885PTGS1 2007/4885

“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.