SCHEMBL16005293

SCHEMBL16005293

CCCCOc1c(Cl)cc(C(F)(F)F)cc1C=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 1/20 0.38
GABRA2 P47869 4/20 0.37
GABRB2 P47870 4/20 0.37
HPGD P15428 1/20 0.37
ALDH1A1 P00352 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GABRB3 P28472 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
S1PR2 O95136 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
LPAR2 Q9HBW0 1/20 0.34
MEN1 O00255 1/20 0.34
PPARG P37231 2/20 0.34
PTGES O14684 1/20 0.34
ALOX5 P09917 1/20 0.34
PSEN1 P49768 1/20 0.34
THRA P10827 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
SCHEMBL16004998 0.81 ORAI1 (0.40) ORAI1ALDH1A1KMT2AS1PR2S1PR1
SCHEMBL16005185 0.81 ORAI1 (0.54) ORAI1HPGDALDH1A1KMT2AS1PR2
SCHEMBL16005511 0.79 KDM4E (0.38) HPGDALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL16005078 0.78 THRA (0.42) ORAI1ALDH1A1KMT2ASMN1; SMN2S1PR2
SCHEMBL16005448 0.75 ORAI1 (0.52) ORAI1HPGDALDH1A1KMT2AS1PR2
SCHEMBL17513175 0.73 ORAI1 (0.56) ORAI1HPGDALDH1A1KMT2AMEN1
SCHEMBL6605721 0.71 RXRA (0.48) PPARGTHRATHRB
SCHEMBL953869 0.71 PTGDR2 (0.48) HPGDALDH1A1PPARDPPARASMN1; SMN2
SCHEMBL7290764 0.71 SRC (0.47) ALDH1A1THRATHRBMAPT
SCHEMBL3478814 0.70 THRA (0.43) ALDH1A1KMT2ASMN1; SMN2S1PR2S1PR1

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 4 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
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 169/4885GABRA2 274/4885GABRB2 178/4885

“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.