SCHEMBL19686592

SCHEMBL19686592

NC(COc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 8/20 0.61
NR2E1 Q9Y466 4/20 0.58
CYP1A2 P05177 3/20 0.55
KDM4E B2RXH2 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 1/20 0.55
HTR1B P28222 3/20 0.53
ALDH1A1 P00352 2/20 0.50
KCNA3 P22001 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2D6 P10635 3/20 0.48
ADRB2 P07550 2/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
SLC6A4 P31645 2/20 0.48
HTR2B P41595 2/20 0.48

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
SCHEMBL12071826 0.85 HTR1B (0.60) NR2E1KDM4EKMT2AHTR1BALDH1A1
SCHEMBL541161 0.85 HTR1B (0.60) NR2E1KDM4EKMT2AHTR1BALDH1A1
Hydrochloric Acid SCHEMBL28370503 0.84 HTR1B (0.58) NR2E1KDM4EKMT2AHTR1BALDH1A1
Hydrochloric Acid SCHEMBL28883801 0.84 HTR1B (0.58) NR2E1KDM4EKMT2AHTR1BALDH1A1
SCHEMBL28331986 0.80 CYP1A2 (0.64) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL29029003 0.79 NR2E1 (0.61) NR2E1CYP1A2KDM4EMEN1CYP2C19
Oxalic Acid SCHEMBL9613804 0.79 KMT2A (0.60) NR2E1KDM4EMEN1KMT2AHTR1B
SCHEMBL11413078 0.77 CYP1A2 (0.69) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL8761918 0.77 NR2E1 (0.67) NR2E1CYP1A2KDM4EMEN1CYP2C19
SCHEMBL12707712 0.76 HTR1B (0.53) NR2E1CYP1A2KDM4EMEN1CYP2C19

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 SCN4A 48/4885NR2E1 444/4885CYP1A2 3286/4885

“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.