SCHEMBL16005607

SCHEMBL16005607

COC(=O)c1ccc(N(Cc2cc(C(F)(F)F)cc(Cl)c2O)C(C)=O)cc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MRGPRX4 Q96LA9 6/20 0.41
CFTR P13569 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
TSPO P30536 2/20 0.33
CETP P11597 1/20 0.33
P2RX1 P51575 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PDK1 Q15118 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 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
SCHEMBL16005151 0.88 ACLY (0.36) KDM4EALDH1A1HPGDHSD17B10TSPO
SCHEMBL16005229 0.86 TSPO (0.35) KDM4EALDH1A1HPGDHSD17B10TSPO
SCHEMBL16145778 0.80 EGFR (0.42) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL16005814 0.78 KDM4E (0.46) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL5943417 0.71 KDM4E (0.73) KDM4EUSP2ALDH1A1HPGDCYP2C19
SCHEMBL16005034 0.70 MAPT (0.41) KDM4EALDH1A1CYP2C19LMNAMAPT
SCHEMBL16005130 0.69 MAPT (0.47) KDM4EALDH1A1CYP2C19LMNAMAPT
SCHEMBL28005587 0.67 KMT2A (0.47) KDM4EALDH1A1MRGPRX4CFTRP2RX1
SCHEMBL16005243 0.66 CA12 (0.48) KDM4EHPGDCYP2C19LMNAMAPT
SCHEMBL13888158 0.66 GABRB3 (0.41) ALDH1A1MRGPRX4P2RX1P2RX4P2RX7

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 KDM4E 2946/4885USP2 4615/4885ALDH1A1 1015/4885

“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.