SCHEMBL19685921

SCHEMBL19685921

COCCNC(COc1ccncc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.51
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ROCK2 O75116 2/20 0.40
▸ ROCK1 Q13464 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ GPR88 Q9GZN0 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTR7 P34969 2/20 0.38
▸ MAN2A1 Q16706 1/20 0.38
▸ MAN1B1 Q9UKM7 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ EGFR P00533 1/20 0.37

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
SCHEMBL19686195 0.86 CHRNB2 (0.48) ALDH1A1
SCHEMBL19686198 0.81 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1ROCK2ROCK1
SCHEMBL21325176 0.81 TACR1 (0.41) ALDH1A1MAPTHPGDGPR88MAN2A1
SCHEMBL19686208 0.78 ALDH1A1 (0.40) ALDH1A1ROCK2MAPK1EGFR
SCHEMBL21325309 0.77 SCN9A (0.53) KMT2AMEN1MAPK1
SCHEMBL19685918 0.77 SCN8A (0.40) ALDH1A1ROCK1HPGDMAN2A1MAN1B1
SCHEMBL21325172 0.77 SCN4A (0.52) ALDH1A1KMT2AHTT
SCHEMBL19685920 0.74 TAS1R3 (0.39) ALDH1A1MAPTHPGDMAN2A1MAN1B1
SCHEMBL31407140 0.74 MAOA (0.44) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL19668715 0.74 HTR1B (0.47) ALDH1A1KMT2AMAPTHPGDMAN2A1

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 1414/4885KMT2A 4124/4885MEN1 1651/4885

“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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