SCHEMBL16005185

SCHEMBL16005185

CCCCOc1c(Cl)cc(Cl)cc1C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 2/20 0.54
ERN1 O75460 3/20 0.43
TDP1 Q9NUW8 4/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR1 P21453 1/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL16005448 0.94 ORAI1 (0.52) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL17513175 0.92 ORAI1 (0.56) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL8189636 0.85 ORAI1 (0.51) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL16004998 0.84 ORAI1 (0.40) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL16005078 0.84 THRA (0.42) ORAI1ERN1TDP1ALDH1A1POLB
SCHEMBL5883224 0.82 ORAI1 (0.56) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL16005293 0.81 ORAI1 (0.38) ORAI1ALDH1A1POLBKMT2AMAPT
SCHEMBL7294470 0.81 ORAI1 (0.49) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL28293631 0.79 ORAI1 (0.47) ORAI1ERN1TDP1ALDH1A1L3MBTL1
SCHEMBL3222717 0.79 ORAI1 (0.49) ORAI1ERN1TDP1ALDH1A1L3MBTL1

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 ORAI1 169/4885ERN1 1346/4885TDP1 1948/4885

“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.