SCHEMBL17449485

SCHEMBL17449485

Cc1cc(C(F)(F)F)c2[nH]c(C(C)C)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.35
HPGD P15428 3/20 0.34
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
ADORA2B P29275 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE2A O00408 1/20 0.31
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
NPY5R Q15761 1/20 0.30

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
SCHEMBL18659788 0.84 SCN10A (0.38) KDM4ELMNAHSD17B10SCN10AADORA3
SCHEMBL25463693 0.78 HSD17B10 (0.42) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL21212187 0.76 KDM4E (0.41) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL21937453 0.76 SCN10A (0.39) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL17149423 0.76 MAPT (0.37) KDM4EHSD17B10HPGDALDH1A1NPSR1
SCHEMBL20094221 0.74 CACNA1H (0.38) NPSR1POLB
SCHEMBL15850783 0.74 CACNA1H (0.55) POLB
SCHEMBL11812801 0.74 KDM4E (0.34) KDM4ELMNAHSD17B10SCN10AADORA3
SCHEMBL11881600 0.72 KDM4E (0.56) KDM4ELMNAHSD17B10SCN10AHPGD
SCHEMBL22210589 0.72 KDM4E (0.37) KDM4ELMNAHSD17B10SCN10AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL EPIRUS BIOPHARMACEUTICALS, INC. (US) 2017-04-20 US disclosed
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL NATIONAL CENTER FOR ADDICTION STUDIES AND TREATMENT FOUNDATION 2016-01-21 US 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 (2 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-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A KDM4E 4433/4885LMNA 2357/4885HSD17B10 2950/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S KDM4E 4747/4885LMNA 2652/4885HSD17B10 2474/4885

“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.