SCHEMBL16005376

SCHEMBL16005376

O=C(O)c1ccc(NCCc2cc(Br)ccc2O)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.50
BCL2L1 Q07817 1/20 0.49
MCL1 Q07820 1/20 0.49
CDK2 P24941 3/20 0.46
EGFR P00533 3/20 0.45
NOX4 Q9NPH5 2/20 0.45
ALDH1A1 P00352 2/20 0.45
RGS12 O14924 1/20 0.45
LCK P06239 1/20 0.45
MAPT P10636 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
APEX1 P27695 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
SYK P43405 1/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL27770270 0.86 EGFR (0.60) KDM4CEGFRNOX4ALDH1A1RGS12
SCHEMBL27787480 0.77 EGFR (0.74) KDM4CEGFRNOX4ALDH1A1RGS12
SCHEMBL12862656 0.74 BCL2L1 (0.58) KDM4CBCL2L1MCL1EGFRNOX4
SCHEMBL155359 0.74 KMT2A (0.53) KDM4CBCL2L1MCL1EGFRNOX4
SCHEMBL27906555 0.73 KLKB1 (0.51) KDM4CEGFRALDH1A1LCKMAPT
Lysine SCHEMBL27809453 0.73 CA12 (0.47) KDM4CEGFRNOX4ALDH1A1RGS12
SCHEMBL27770271 0.73 EGFR (0.60) KDM4CBCL2L1MCL1EGFRNOX4
SCHEMBL467470 0.73 ALDH1A1 (0.61) ALDH1A1MAPTTDP1CA12CA1
SCHEMBL7809216 0.72 EGFR (0.81) EGFRNOX4ALDH1A1RGS12LCK
SCHEMBL7809127 0.71 NOX4 (0.78) KDM4CEGFRNOX4ALDH1A1RGS12

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
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 KDM4C 4252/4885BCL2L1 311/4885MCL1 1738/4885

“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.