SCHEMBL23736196

SCHEMBL23736196

Cc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 4/20 0.59
TRPV1 Q8NER1 1/20 0.58
COMT P21964 1/20 0.58
NPY5R Q15761 1/20 0.50
GFER P55789 1/20 0.45
NPBWR1 P48145 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
PARP2 Q9UGN5 1/20 0.43
KIF11 P52732 1/20 0.42
SMPD3 Q9NY59 1/20 0.41
WNT3A P56704 1/20 0.41
HDAC4 P56524 1/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41

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
SCHEMBL416362 0.84 HDAC6 (0.46) SCN2ATRPV1COMTKDM4ENPC1
SCHEMBL23736211 0.80 SCN2A (0.70) SCN2ANPY5RKDM4ENPC1RAB9A
SCHEMBL26202011 0.78 SCN2A (0.55) SCN2ATRPV1COMTNPY5RGFER
SCHEMBL11371985 0.77 NPY5R (0.55) SCN2ANPY5RKDM4ENPC1RAB9A
SCHEMBL18731402 0.76 HDAC4 (0.47) SCN2ANPY5RGFERKDM4ENPC1
SCHEMBL7700050 0.76 TRPV1 (0.50) SCN2ATRPV1NPY5RNPC1RAB9A
SCHEMBL23736202 0.76 SCN2A (0.56) SCN2ANPY5RGFERKDM4ENPC1
SCHEMBL236656 0.75 SCN2A (0.61) SCN2ANPY5RSMPD3HDAC4
SCHEMBL15331905 0.75 COMT (0.57) SCN2ATRPV1COMTNPY5RGFER
SCHEMBL5833712 0.74 COMT (0.65) SCN2ATRPV1COMTNPY5RKDM4E

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-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
US-11090289-B2 Compositions and methods for blocking sodium channels UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-08-17 US disclosed
CN-108349904-A PPAR AGONISTS, COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF 米托布里奇公司 2018-07-31 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-11090289-B2 Compositions and methods for blocking sodium channels SCN3A, SCN1B, SCN2B SCN2A 7/4885TRPV1 99/4885COMT 1764/4885

“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.