SCHEMBL17437503

SCHEMBL17437503

NCCC1Nc2c(cc(C(F)(F)F)cc2C(F)(F)F)NC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.35
CACNA1H O95180 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL17437502 1.00 IDO1 (0.35) IDO1CACNA1HKMT2AMEN1TP53
SCHEMBL17437592 0.89 CACNA1H (0.32) CACNA1HKMT2AMEN1TP53MAPT
SCHEMBL8873557 0.72 ALDH1A1 (0.33) KMT2AMEN1
SCHEMBL8874052 0.68 ALDH1A1 (0.33) KMT2AMEN1
SCHEMBL8874023 0.67 CES2 (0.33) CACNA1H
SCHEMBL8873209 0.66 CES2 (0.37) CACNA1HKMT2AMAPT
SCHEMBL9054976 0.64 HDAC8 (0.39) MAPT
SCHEMBL8873705 0.64 MAPT (0.36) TP53MAPTSMN1; SMN2
SCHEMBL9402167 0.62 TSHR (0.39) IDO1KMT2AMEN1ADAMTS5
SCHEMBL8872301 0.61 MAPT (0.35) CACNA1HMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208023-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2019-02-19 US disclosed
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 (3 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-10208023-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPV1, SCN1A IDO1 751/4885CACNA1H 32/4885KMT2A 2494/4885
US-20160016939-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, TRPV1, SCN1A IDO1 751/4885CACNA1H 32/4885KMT2A 2494/4885
US-20170107203-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S IDO1 1143/4885CACNA1H 20/4885KMT2A 3046/4885

“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.