SCHEMBL6100015

SCHEMBL6100015

COc1cc(CC(=O)Nc2cccc(C#Cc3ccccc3C(F)(F)F)c2)ccc1O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
STAT3 P40763 1/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NLRP3 Q96P20 2/20 0.43
ACHE P22303 4/20 0.43
FFAR1 O14842 1/20 0.42
BCHE P06276 1/20 0.42
USP2 O75604 1/20 0.42
GCGR P47871 1/20 0.42

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
SCHEMBL6098671 0.86 SMN1; SMN2 (0.57) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6111172 0.82 SMN1; SMN2 (0.57) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6100957 0.78 GAA (0.52) KMT2AMEN1MAPTALDH1A1TSHR
SCHEMBL6101644 0.76 SMN1; SMN2 (0.64) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6099398 0.75 KMT2A (0.64) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6098990 0.74 SMN1; SMN2 (0.60) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6100978 0.73 KDM4E (0.65) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6101360 0.73 MAPT (0.56) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6101354 0.73 MAPT (0.56) HTTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL25769880 0.73 NLRP3 (0.61) HTTSMN1; SMN2LMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7084176-B2 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2006-08-01 US disclosed
US-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2004-12-09 US disclosed
EP-1403235-A1 N-ARYLPHENYLACETAMIDE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2004-03-31 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 (1 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-20040248983-A1 N-arylphenylacetamide derivatives and medicinal compositions containing the same HRH2, CCR8, CYP2C8 HTT 1276/4885SMN1; SMN2 2474/4885LMNA 3086/4885

“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.