SCHEMBL4288592

SCHEMBL4288592

CNS(=O)(=O)Cc1cnc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
NPSR1 Q6W5P4 4/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.40
KDM4E B2RXH2 1/20 0.40
S100A9 P06702 6/20 0.36
SCN9A Q15858 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
SCHEMBL16235465 0.79 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL3633110 0.73 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL16235474 0.73 S100A9 (0.40) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL2420112 0.73 SLC6A4 (0.40) ALDH1A1NPSR1MAPTKDM4E
SCHEMBL16235499 0.71 S100A9 (0.39) ALDH1A1LMNAPOLBKDM4ES100A9
SCHEMBL24425804 0.71 ALDH1A1 (0.42) ALDH1A1NPSR1MAPTS100A9
SCHEMBL2746172 0.71 ALDH1A1 (0.38) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL7665056 0.71 KDM4E (0.54) ALDH1A1KDM4E
SCHEMBL8272903 0.70 ALDH1A1 (0.44) ALDH1A1NPSR1LMNAPOLBMAPT
SCHEMBL3710485 0.70 ALDH1A1 (0.43) ALDH1A1NPSR1LMNAPOLBMAPT

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-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF PURDUE PHARMA L. P. (US) 2009-07-09 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-20090176796-A1 TRPV1 ANTAGONISTS INCLUDING AMIDE SUBSTITUENT AND USES THEREOF TRPV1, TRPA1, TRPV2 ALDH1A1 1188/4885NPSR1 122/4885LMNA 4469/4885

“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.