SCHEMBL16005603

SCHEMBL16005603

CC(=O)Oc1cc(NCc2cc(C(F)(F)F)cc(Cl)c2O)ccc1C(=O)OC1CC2CCC1(C)C2(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SCN9A Q15858 3/20 0.36
ELANE P08246 2/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP19A1 P11511 2/20 0.34
EPHX2 P34913 1/20 0.34
SHBG P04278 1/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 2/20 0.32
USP2 O75604 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL16005019 0.93 MAPT (0.42) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005126 0.92 MAPT (0.38) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16145636 0.91 MAPT (0.48) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005315 0.90 MAPT (0.42) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005092 0.90 MAPT (0.49) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005528 0.90 MAPT (0.39) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16004984 0.89 MAPT (0.47) MAPTMAPK1KMT2AMEN1ELANE
SCHEMBL16145524 0.89 MAPT (0.47) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005181 0.89 MAPT (0.42) MAPTMAPK1KMT2AMEN1SCN9A
SCHEMBL16005023 0.87 MAPT (0.42) MAPTMAPK1KMT2AMEN1SCN9A

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 6 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-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 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.