SCHEMBL3591247

SCHEMBL3591247

COc1ccc(CNc2ncc(C(=O)O)cc2Cl)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 2/20 0.54
CYP1A2 P05177 14/20 0.54
CYP3A4 P08684 14/20 0.54
CYP2C19 P33261 14/20 0.54
CYP2D6 P10635 12/20 0.54
TSHR P16473 12/20 0.54
ALDH1A1 P00352 8/20 0.54
HSD17B10 Q99714 7/20 0.54
CYP2C9 P11712 7/20 0.54
HIF1A Q16665 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 3/20 0.53
MAPK1 P28482 4/20 0.51
CLK4 Q9HAZ1 5/20 0.48
LMNA P02545 5/20 0.48
GLA P06280 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
USP2 O75604 4/20 0.47
ALOX15 P16050 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47

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
SCHEMBL12992231 0.87 MAPT (0.65) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL18569219 0.82 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31275112 0.81 KDM4C (0.57) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL16992915 0.77 KDM4C (0.54) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL24468588 0.76 KDM4C (0.46) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29875781 0.76 KDM4C (0.46) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL21639656 0.76 CA1 (0.72) KDM4CCYP1A2CYP3A4CYP2C19TSHR
SCHEMBL28091678 0.76 CYP1A2 (0.58) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL31026830 0.76 KDM4C (0.48) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6
SCHEMBL29650717 0.76 KDM4C (0.46) KDM4CCYP1A2CYP3A4CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632477-B1 BENZAMIDE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2017-03-01 EP disclosed
US-7855198-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2010-12-21 US disclosed
CN-100562513-C Benzamide derivatives or its salt ASTELLAS PHARMA INC (JP) 2009-11-25 CN disclosed
US-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics ASTELLAS PHARMA INC. (JP) 2009-10-29 US disclosed
US-7585878-B2 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2009-09-08 US disclosed
US-20070167444-A1 Benzamide derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
CN-1805923-A Benzamide derivative or salt thereof ASTELLAS PHARMA INC (JP) 2006-07-19 CN disclosed
EP-1632477-A1 BENZAMIDE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-03-08 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-20090270365-A1 such as N-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide, having vanilloid receptor 1 antagonistic activity, used as analgesics TRPV1, TRPV2, TRPV3 KDM4C 1364/4885CYP1A2 2476/4885CYP3A4 2822/4885
US-20070167444-A1 Benzamide derivative or salt thereof TRPV1, BDKRB1, BDKRB2 KDM4C 2469/4885CYP1A2 3377/4885CYP3A4 3896/4885

“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.