SCHEMBL4748480

SCHEMBL4748480

CSc1nc(-c2cccc(S(N)(=O)=O)c2)nc(NN)c1C#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.41
CA1 P00915 10/20 0.41
CA2 P00918 10/20 0.41
CA9 Q16790 8/20 0.41
CA13 Q8N1Q1 5/20 0.41
IKBKB O14920 1/20 0.41
CHUK O15111 1/20 0.41
CA12 O43570 6/20 0.40
CA7 P43166 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37

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
SCHEMBL4745003 0.87 SYK (0.44) NPSR1CA1CA2CA9CA13
SCHEMBL8383001 0.82 NPSR1 (0.44) NPSR1ALDH1A1MAPTRXFP1
SCHEMBL4787733 0.81 FOS (0.41) NPSR1
SCHEMBL8384543 0.81 NPSR1 (0.53) NPSR1ALDH1A1MAPTRXFP1
SCHEMBL7898133 0.80 CA9 (0.40) CA1CA2CA9CA13CA12
SCHEMBL4748211 0.79 NPSR1 (0.41) NPSR1CA1CA2CA9CA12
SCHEMBL4744572 0.72 MAPT (0.55) NPSR1ALDH1A1MAPTRXFP1
SCHEMBL4747831 0.71 NPSR1 (0.51) NPSR1ALDH1A1MAPTRXFP1
SCHEMBL7892682 0.70 SYK (0.44) CA1CA2CA9CA12ALDH1A1
SCHEMBL4744573 0.70 CYP1A2 (0.57) NPSR1ALDH1A1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S NPSR1 992/4885CA1 1344/4885CA2 2732/4885

“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.