SCHEMBL16005387

SCHEMBL16005387

COC(=O)c1ccc(NCc2cc(F)cc(Cl)c2O)cc1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.60
NOX4 Q9NPH5 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
ALOX15 P16050 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALOX5 P09917 1/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43

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
SCHEMBL16005192 0.88 EGFR (0.62) EGFRNOX4SMN1; SMN2ALOX15MEN1
SCHEMBL19664973 0.87 PYGL (0.51) EGFRNOX4ALOX15MEN1MAPT
SCHEMBL16005147 0.79 MAPT (0.45) EGFRMEN1MAPTKMT2AKDM4E
SCHEMBL23511301 0.78 EGFR (0.54) EGFRNOX4ALOX15MEN1MAPT
SCHEMBL413095 0.75 EGFR (1.00) EGFRNOX4MAPTCA1CA2
SCHEMBL29385739 0.74 CA12 (0.60) EGFRNOX4MEN1MAPTKMT2A
SCHEMBL15367533 0.74 CA12 (0.60) EGFRNOX4MEN1MAPTKMT2A
SCHEMBL16005243 0.74 CA12 (0.48) EGFRNOX4ALOX15MEN1MAPT
SCHEMBL23511180 0.74 CA12 (0.48) EGFRMEN1KMT2ACA1CA2
SCHEMBL16005003 0.73 EGFR (0.44) EGFRNOX4ALOX15MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2774914-B1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF UNIV NANJING MEDICAL (CN) 2017-12-06 EP disclosed
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
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 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-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF NLN, INA, TRPV1 EGFR 4623/4885NOX4 597/4885SMN1; SMN2 425/4885

“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.