SCHEMBL7670765

SCHEMBL7670765

CS(=O)(=O)NOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
AR P10275 4/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CA2 P00918 3/20 0.47
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KEAP1 Q14145 1/20 0.42
CA12 O43570 2/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 1/20 0.40

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
SCHEMBL28926322 0.86 CA2 (0.59) NPC1RAB9AARHPGDSMN1; SMN2
Methane SCHEMBL7670761 0.84 CA2 (0.57) NPC1RAB9AARHPGDSMN1; SMN2
SCHEMBL13045371 0.81 KMT2A (0.45) NPC1RAB9ACA2CA1CA9
SCHEMBL13046957 0.79 CA1 (0.43) NPC1RAB9AARHPGDSMN1; SMN2
SCHEMBL11683079 0.79 APLNR (0.50) NPC1RAB9ASMN1; SMN2CA2CA1
SCHEMBL18770196 0.79 KMT2A (0.59) NPC1RAB9AARHPGDSMN1; SMN2
SCHEMBL18770182 0.79 AR (0.44) NPC1RAB9AARHPGDSMN1; SMN2
SCHEMBL10837819 0.78 KMT2A (0.64) NPC1RAB9AARSMN1; SMN2CA2
SCHEMBL18770152 0.76 KMT2A (0.48) ARPOLBKMT2AALDH1A1
SCHEMBL11441022 0.75 CYP1A2 (0.59) NPC1RAB9AARHPGDCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
US-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TopoTarget (DE) 2012-10-18 US disclosed
WO-2010142735-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE TOPOTARGET A/S (DK) 2010-12-16 WO disclosed
US-6458783-B1 INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 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-20120264755-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE NAMPT, NAPRT, NNT NPC1 786/4885RAB9A 3185/4885AR 3411/4885

“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.