SCHEMBL16145778

SCHEMBL16145778

COC(=O)c1ccc(NCc2cc(C(F)(F)F)cc(Cl)c2O)cc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.42
KDM4E B2RXH2 2/20 0.41
CYP2C19 P33261 2/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
GAA P10253 1/20 0.41
NOX4 Q9NPH5 1/20 0.40
ALOX5 P09917 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX15 P16050 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CFTR P13569 1/20 0.37
P2RX1 P51575 2/20 0.37

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
SCHEMBL16005243 0.87 CA12 (0.48) EGFRKDM4ECYP2C19HPGDMAPT
SCHEMBL16005003 0.85 EGFR (0.44) EGFRKDM4ECYP2C19USP2ALDH1A1
SCHEMBL16005603 0.81 MAPT (0.46) KDM4ECYP2C19USP2ALDH1A1HPGD
SCHEMBL16005607 0.80 KDM4E (0.42) KDM4ECYP2C19USP2ALDH1A1HPGD
SCHEMBL28005587 0.77 KMT2A (0.47) EGFRKDM4EALDH1A1MAPTMRGPRX4
SCHEMBL16005420 0.77 CA12 (0.49) EGFRKDM4ECYP2C19USP2ALDH1A1
SCHEMBL16005019 0.74 MAPT (0.42) KDM4ECYP2C19MAPTGAAKMT2A
SCHEMBL5943417 0.73 KDM4E (0.73) KDM4ECYP2C19USP2ALDH1A1HPGD
SCHEMBL16005387 0.73 EGFR (0.60) EGFRKDM4ECYP2C19ALDH1A1HSD17B10
SCHEMBL16005192 0.72 EGFR (0.62) EGFRKDM4ECYP2C19HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US disclosed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 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 (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-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 EGFR 4623/4885KDM4E 2946/4885CYP2C19 781/4885

“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.