SCHEMBL13170085

SCHEMBL13170085

COc1ccc(C(F)(F)F)cc1NC(C)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.72
CYP2C19 P33261 4/20 0.72
CYP2C9 P11712 3/20 0.72
POLB P06746 1/20 0.62
CYP3A4 P08684 3/20 0.61
CYP2D6 P10635 1/20 0.61
ATM Q13315 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 5/20 0.58
KDM4E B2RXH2 5/20 0.58
TSHR P16473 1/20 0.55
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
MAPK1 P28482 1/20 0.53
MEN1 O00255 3/20 0.52
RAF1 P04049 2/20 0.52
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL31440788 0.89 KMT2A (0.61) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL20357363 0.88 MAPT (0.58) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL164777 0.86 MAPT (0.57) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL1634759 0.86 MAPT (0.56) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL8370046 0.86 MAPT (0.57) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL17681780 0.86 CYP1A2 (0.70) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL13947606 0.86 HTT (0.61) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL5789931 0.85 MAPT (0.74) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL7934014 0.82 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9POLBCYP3A4
SCHEMBL10676913 0.82 CYP1A2 (0.54) CYP1A2CYP2C19CYP2C9CYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 EP disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-8449898-B2 Fungicidal mixtures E I DU PONT DE NEMOURS AND COMPANY (US) 2013-05-28 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
US-20100240619-A1 FUNGICIDAL MIXTURES CORTEVA AGRISCIENCE LLC 2010-09-23 US disclosed
WO-2009055514-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-04-30 WO 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-20100240619-A1 FUNGICIDAL MIXTURES CYP1B1, CYP1A1, NOX1 CYP1A2 11/4885CYP2C19 132/4885CYP2C9 17/4885

“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.