SCHEMBL16005295

SCHEMBL16005295

CC1(C)C2CCC1(C)C(OC(=O)c1cc(NCc3cc(Cl)ccc3O)ccc1O)C2

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.48
KMT2A Q03164 2/20 0.48
EGFR P00533 12/20 0.46
ELANE P08246 2/20 0.44
NOX4 Q9NPH5 1/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
XBP1 P17861 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 1/20 0.42
CYP19A1 P11511 1/20 0.41

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
SCHEMBL16005165 0.94 EGFR (0.47) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005384 0.91 MAPT (0.46) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005545 0.91 MAPT (0.46) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005636 0.89 MAPT (0.48) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005567 0.89 MAPT (0.49) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005330 0.86 MAPT (0.45) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16145584 0.85 MAPT (0.44) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005302 0.84 EGFR (0.48) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005181 0.83 MAPT (0.42) MAPTMAPK1KMT2AEGFRELANE
SCHEMBL16005098 0.83 MAPT (0.46) MAPTMAPK1KMT2AEGFRELANE

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 claimed
US-9481636-B2 N-benzylaniline derivative and uses thereof NANJING MEDICAL UNIVERSITY (CN) 2016-11-01 US claimed
US-20140303248-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Neurodawn Pharmaceutical Co., Ltd. (CN) 2014-10-09 US claimed
EP-2774914-A1 N-BENZYLANILINE DERIVATIVE AND USES THEREOF Nanjing Medical University (CN) 2014-09-10 EP claimed
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 MAPT 887/4885MAPK1 950/4885KMT2A 2744/4885

“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.