SCHEMBL19686198

SCHEMBL19686198

COCCNC(COc1cnccc1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ SCN4A P35499 1/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ CHRNB2 P17787 1/20 0.36
▸ CHRNA4 P43681 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ROCK1 Q13464 2/20 0.35
▸ MAN2A1 Q16706 1/20 0.34
▸ MAN1B1 Q9UKM7 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL21325172 0.85 SCN4A (0.52) ALDH1A1TAS1R3TAS1R1SCN4ACYP1A2
SCHEMBL19686208 0.84 ALDH1A1 (0.40) ALDH1A1EGFRROCK2CYP1A2CYP3A4
SCHEMBL19685921 0.81 ALDH1A1 (0.51) ALDH1A1EGFRROCK2HPGDROCK1
SCHEMBL19686195 0.81 CHRNB2 (0.48) ALDH1A1CHRNB2CHRNA4CYP1A2CYP3A4
SCHEMBL19685918 0.80 SCN8A (0.40) ALDH1A1TAS1R3TAS1R1EGFRSCN4A
SCHEMBL19668715 0.79 HTR1B (0.47) ALDH1A1TAS1R3TAS1R1SCN4ACYP1A2
SCHEMBL19685920 0.77 TAS1R3 (0.39) ALDH1A1TAS1R3TAS1R1EGFRHPGD
SCHEMBL19686104 0.74 SCN4A (0.68) SCN4ACHRNB2CHRNA4
SCHEMBL21325176 0.74 TACR1 (0.41) ALDH1A1TAS1R3TAS1R1EGFRHPGD
SCHEMBL21325186 0.73 CYP1A2 (0.40) ALDH1A1TAS1R3TAS1R1CYP1A2CYP3A4

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 1414/4885TAS1R3 289/4885TAS1R1 209/4885

“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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