SCHEMBL21825464

SCHEMBL21825464

CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)cc(Cl)c2)CC1.CC(C)(C)OC(=O)c1cc(C2CC2)c(CN2CCC(Oc3cc(Cl)cc(OC(F)(F)F)c3)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 7/20 0.43
▸ SCN7A Q01118 2/20 0.40
▸ SCN5A Q14524 2/20 0.40
▸ MGLL Q99685 3/20 0.40
▸ DDR1 Q08345 1/20 0.39
▸ VEGFA P15692 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ STS P08842 1/20 0.36
▸ LMNA P02545 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
SCHEMBL16771247 0.91 SCN9A (0.50) SCN9ASCN7ASCN5A
SCHEMBL16759257 0.87 SCN9A (0.51) SCN9ASCN7ASCN5AGPR119
SCHEMBL16759359 0.85 SCN7A (0.49) SCN9ASCN7ASCN5ASTS
SCHEMBL16771206 0.82 SCN9A (0.53) SCN9ASCN7ASCN5A
Hydrochloric Acid SCHEMBL17061970 0.81 SCN9A (0.52) SCN9ASCN7ASCN5A
SCHEMBL16759619 0.81 SCN9A (0.44) SCN9ASCN7ASCN5AGPR119
SCHEMBL16759693 0.81 SCN9A (0.46) SCN9ASCN7ASCN5AMGLL
SCHEMBL16771091 0.81 SCN9A (0.56) SCN9ASCN7ASCN5A
SCHEMBL16759627 0.81 SCN9A (0.51) SCN9ASCN7ASCN5A
SCHEMBL21825501 0.81 SCN9A (0.60) SCN9ASCN7ASCN5A

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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