SCHEMBL19686208

SCHEMBL19686208

COCCNC(COc1cnccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 4/20 0.38
▸ CYP2C19 P33261 4/20 0.38
▸ CLK4 Q9HAZ1 3/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ SSTR4 P31391 4/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 4/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ RBP4 P02753 1/20 0.34
▸ KCNA5 P22460 1/20 0.33

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
SCHEMBL21325186 0.86 CYP1A2 (0.40) ALDH1A1CYP1A2CYP2C19CLK4GLA
SCHEMBL19686198 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL19685921 0.78 ALDH1A1 (0.51) ALDH1A1EGFRMAPK1ROCK2
SCHEMBL19686195 0.77 CHRNB2 (0.48) ALDH1A1CYP1A2CYP2C19CYP2C9CYP3A4
SCHEMBL19686115 0.75 SCN4A (0.48) SSTR4NOTUM
SCHEMBL21325172 0.74 SCN4A (0.52) ALDH1A1CYP1A2CYP3A4ALOX15TSHR
SCHEMBL21325309 0.74 SCN9A (0.53) CYP1A2CYP2C19CYP2C9CYP3A4ALOX15
SCHEMBL19685920 0.71 TAS1R3 (0.39) ALDH1A1EGFR
SCHEMBL19668715 0.71 HTR1B (0.47) ALDH1A1CYP1A2CYP3A4ALOX15TSHR
SCHEMBL19685918 0.69 SCN8A (0.40) ALDH1A1CYP1A2CYP2C19ALOX15HSD17B10

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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2019-09-05 — — US disclosed
WO-2017210371-A2 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2017-12-07 — — WO 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-20190270696-A1 COMPOUNDS AS INHIBITORS OF SODIUM CHANNELS SCN1B, CACNA1E, SCN2B ALDH1A1 1414/4885CYP1A2 3286/4885CYP2C19 4061/4885

“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.

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