SCHEMBL16005362

SCHEMBL16005362

COC(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1OC(C=C=O)C1CC2CCC1(C)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ALB P02768 1/20 0.33
EGFR P00533 4/20 0.32
NOX4 Q9NPH5 1/20 0.32
SCN9A Q15858 3/20 0.31
CXCR3 P49682 1/20 0.30

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
SCHEMBL16005255 0.85 SCN9A (0.33) SCN9A
SCHEMBL19664938 0.81 CA12 (0.34) CA12CA1CA2CA9ALB
SCHEMBL16005162 0.79 MAPT (0.45) CA12CA1CA2CA9ALB
SCHEMBL16005627 0.78 OPRK1 (0.36) SCN9ACXCR3
SCHEMBL16005363 0.78 CA12 (0.35) CA12CA1CA2CA9ALB
SCHEMBL16005097 0.78 MAPT (0.35) SCN9A
SCHEMBL16005351 0.76 MAPT (0.39) CA12CA1CA2CA9ALB
SCHEMBL16005062 0.76 MEN1 (0.35) SCN9A
SCHEMBL16005092 0.76 MAPT (0.49) CA12CA1CA2CA9ALB
SCHEMBL16005430 0.75 MAPT (0.40) CA12CA1CA2CA9ALB

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
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US claimed
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 CA12 3914/4885CA1 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.