SCHEMBL16005804

SCHEMBL16005804

COc1cc(N(C)Cc2cc(Cl)cc(Cl)c2O)ccc1C(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SHBG P04278 1/20 0.41
ELANE P08246 2/20 0.40
SCN9A Q15858 3/20 0.39
CYP19A1 P11511 2/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL16005345 0.93 MAPT (0.48) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005809 0.92 MAPT (0.45) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005422 0.89 MAPT (0.38) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005588 0.85 MAPT (0.44) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005130 0.84 MAPT (0.47) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005380 0.84 MAPT (0.43) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005162 0.83 MAPT (0.45) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005451 0.82 MAPT (0.43) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005206 0.82 MAPT (0.42) MAPTKDM4EGAAXBP1NPSR1
SCHEMBL16005434 0.79 MAPT (0.43) MAPTKDM4EGAAXBP1NPSR1

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 8 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
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 MAPT 887/4885KDM4E 2946/4885GAA 1584/4885

“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.