SCHEMBL4131518

SCHEMBL4131518

Cc1c(F)cccc1-n1nc(CCNC(=O)O)cc1S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.37
GAA P10253 1/20 0.36
NAMPT P43490 2/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EPHX2 P34913 2/20 0.33
PTGS2 P35354 2/20 0.33
SCN5A Q14524 1/20 0.33
MEN1 O00255 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 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
SCHEMBL4139322 0.93 GAA (0.36) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4131144 0.93 NAMPT (0.37) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4130559 0.93 GAA (0.39) GAANAMPTCYP2C9KMT2ANPC1
SCHEMBL4125823 0.91 NAMPT (0.38) SCN9ANAMPTCYP2C9KDM4EEPHX2
SCHEMBL4118159 0.90 GAA (0.35) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4126509 0.90 RIPK1 (0.37) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4131275 0.88 ALDH1A1 (0.35) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4130087 0.88 ALDH1A1 (0.35) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL4126274 0.87 GAA (0.40) GAANAMPTCYP2C9KDM4EKMT2A
SCHEMBL3704869 0.87 P2RX7 (0.37) NAMPTKMT2AEPHX2PTGS2RORC

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
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 SCN9A 3101/4885GAA 7/4885NAMPT 2129/4885

“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.