SCHEMBL12100279

SCHEMBL12100279

COc1ccc2nc(C3CC(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CCN3C=O)ccc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELOVL6 Q9H5J4 1/20 0.38
▸ GPR6 P46095 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTR6 P50406 4/20 0.34
▸ PPARG P37231 1/20 0.34
▸ MAPK7 Q13164 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ MCHR1 Q99705 1/20 0.32
▸ ABCC9 O60706 1/20 0.32
▸ ABCC8 Q09428 1/20 0.32
▸ KCNJ11 Q14654 1/20 0.32

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
SCHEMBL12099973 0.89 PDE10A (0.36) ELOVL6HTR6FLT3KDM2BCYP3A4
SCHEMBL1810249 0.77 SCN9A (0.51) MAPK7HRH3SCN9ASCN10A
SCHEMBL12100071 0.76 SLC40A1 (0.48) PPARGFLT3CYP3A4CYP2C9CYP2C19
SCHEMBL12100104 0.74 ALDH1A1 (0.43) MAPTSCN9A
SCHEMBL12099616 0.74 CACNA1B (0.38) ELOVL6HTR6PPARGKDM2BSCN9A
SCHEMBL12099695 0.72 NPY5R (0.36) FLT3KDM2BCYP1A2CYP3A4CYP2C9
SCHEMBL12100616 0.71 METAP1 (0.35) —
SCHEMBL12099936 0.71 NOTUM (0.40) ELOVL6HTR6KDM2B
SCHEMBL1807553 0.65 SCN9A (0.47) SCN9ASCN10A
SCHEMBL12099725 0.65 SCN9A (0.39) SCN9AMCHR1

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-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B ELOVL6 4277/4885GPR6 722/4885TP53 4782/4885

“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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