SCHEMBL16005192

SCHEMBL16005192

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.62
CA1 P00915 3/20 0.56
CA2 P00918 3/20 0.56
CA12 O43570 2/20 0.56
CA9 Q16790 2/20 0.56
NOX4 Q9NPH5 1/20 0.51
ALB P02768 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALOX5 P09917 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 1/20 0.44
CA7 P43166 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK4 Q16654 1/20 0.44
CA14 Q9ULX7 1/20 0.44
GAA P10253 2/20 0.43
HKDC1 Q2TB90 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
SCHEMBL23511301 0.90 EGFR (0.54) EGFRCA1CA2CA12CA9
SCHEMBL16005387 0.88 EGFR (0.60) EGFRCA1CA2CA12CA9
SCHEMBL15367533 0.86 CA12 (0.60) EGFRCA1CA2CA12CA9
SCHEMBL29385739 0.86 CA12 (0.60) EGFRCA1CA2CA12CA9
SCHEMBL16005243 0.85 CA12 (0.48) EGFRCA1CA2CA12CA9
SCHEMBL23511180 0.85 CA12 (0.48) EGFRCA1CA2CA12CA9
SCHEMBL28374017 0.81 CA12 (0.45) EGFRCA1CA2CA12CA9
SCHEMBL16005104 0.81 EGFR (0.55) EGFRCA1CA2CA12CA9
SCHEMBL16005098 0.77 MAPT (0.46) EGFRCA1CA2CA12CA9
SCHEMBL413095 0.77 EGFR (1.00) EGFRCA1CA2CA12CA9

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 5 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
CN-103086908-B N-benzylaniline derivatives and application thereof UNIV NANJING MEDICAL 2015-05-13 CN 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 4623/4885CA1 1325/4885CA2 1476/4885

“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.