SCHEMBL16005190

SCHEMBL16005190

CC(=O)Oc1c(Cl)cc(Br)cc1C=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.37
ABCB11 O95342 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 1/20 0.33
CFD P00746 1/20 0.33
SRC P12931 1/20 0.33
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 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
SCHEMBL4641540 0.84 POLB (0.43) ALDH1A1MEN1KMT2ARAB9ANPSR1
SCHEMBL4641645 0.83 ERN1 (0.50) ERN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL16005543 0.83 MEN1 (0.52) ERN1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL16005123 0.80 ERN1 (0.50) ERN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL4643215 0.80 HSD17B10 (0.43) ALDH1A1CYP1A2MEN1KMT2ATDP1
SCHEMBL31715172 0.76 CYP1A2 (0.42) ERN1ALDH1A1CYP1A2CYP2C19MEN1
SCHEMBL5458569 0.74 ALDH1A1 (0.50) ERN1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL2300015 0.73 ERN1 (0.46) ERN1ALDH1A1CYP1A2MEN1KMT2A
SCHEMBL11477102 0.73 CA1 (0.46) ERN1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL16005078 0.72 THRA (0.42) ERN1ALDH1A1CYP1A2CYP2C19MEN1

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 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
CN-103086908-A N-benzylaniline derivatives and application thereof UNIV NANJING MEDICAL 2013-05-08 CN 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 ERN1 1346/4885ALDH1A1 1015/4885CYP1A2 940/4885

“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.