SCHEMBL904601

SCHEMBL904601

CCn1cc2cc(CN)ccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 1/20 0.41
ROCK1 Q13464 1/20 0.36
CYP2A6 P11509 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
MAT2A P31153 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33

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
SCHEMBL16152983 0.86 SLC5A2 (0.42) SLC5A2CYP2A6HDAC6MAT2AMET
SCHEMBL904586 0.83 SLC5A2 (0.46) SLC5A2HDAC6MAT2AMETNOTUM
SCHEMBL188317 0.79 KDM4E (0.43) SLC5A2MAT2APIK3CDPIK3CAPIK3CB
SCHEMBL904681 0.79 KDM4E (0.49) SLC5A2ROCK1CYP2A6MAT2ACA12
SCHEMBL24930547 0.77 CYP1A2 (0.41) SLC5A2CYP2A6KLKB1NOTUMSMN1; SMN2
SCHEMBL21191965 0.76 NPC1 (0.40) SLC5A2MAT2ANOTUMHTTNPC1
SCHEMBL1637329 0.76 HDAC8 (0.39) SLC5A2HDAC6MAT2ANOTUMSMN1; SMN2
SCHEMBL29141451 0.76 SLC5A2 (0.35) SLC5A2HDAC6MAT2APIK3CDPIK3CA
SCHEMBL28199810 0.76 SLC5A2 (0.35) SLC5A2HDAC6MAT2APIK3CDPIK3CA
SCHEMBL22020836 0.73 NPC1 (0.38) SLC5A2MAT2ANOTUMSMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829026-B2 Sulfamoyl benzoic acid heterobicyclic derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2014-09-09 US disclosed
US-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2013-08-15 US disclosed
WO-2012042915-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2012-04-05 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-20130210858-A1 SULFAMOYL BENZOIC ACID HETEROBICYCLIC DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM6, TRPM5 SLC5A2 235/4885ROCK1 4857/4885CYP2A6 585/4885

“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.