SCHEMBL21825403

SCHEMBL21825403

CC(C)(C)c1c(F)c(C(=O)O)cc(C2CC2)c1OCC1CN(C(c2ccccc2)c2cccnc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.49
▸ SCN7A Q01118 3/20 0.49
▸ SCN5A Q14524 2/20 0.49
▸ CNR2 P34972 3/20 0.41
▸ CYP3A4 P08684 3/20 0.37
▸ CYP3A5 P20815 3/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ FFAR1 O14842 1/20 0.36
▸ MGLL Q99685 2/20 0.36
▸ PLA2G7 Q13093 1/20 0.35
▸ ABHD6 Q9BV23 1/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL16759336 0.82 SCN9A (0.65) SCN9ASCN7ASCN5ACNR2
SCHEMBL16759392 0.79 SCN9A (0.61) SCN9ASCN7ASCN5ACNR2CYP3A4
SCHEMBL16758820 0.75 SCN9A (0.86) SCN9ASCN7ASCN5A
SCHEMBL16758818 0.75 SCN9A (0.86) SCN9ASCN7ASCN5A
SCHEMBL16759664 0.75 SCN9A (0.86) SCN9ASCN7ASCN5A
SCHEMBL17061998 0.73 SCN9A (0.71) SCN9ASCN7ASCN5A
SCHEMBL15536684 0.73 SCN9A (0.75) SCN9ASCN7ASCN5A
SCHEMBL18662290 0.70 NOTUM (0.34) SCN9ASCN7ASCN5ACNR2ALOX5AP
SCHEMBL15536406 0.70 SCN9A (0.70) SCN9ASCN7ASCN5A
SCHEMBL17061983 0.70 NOTUM (0.35) SCN9ACNR2ALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2020-04-09 — — US 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-20200108054-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, SULT2A1 SCN9A 1605/4885SCN7A 1270/4885SCN5A 628/4885

“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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