SCHEMBL4138207

SCHEMBL4138207

O=C(O)NCCc1cc(-c2cccnc2Cl)c(S(=O)(=O)c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.38
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36
GRM4 Q14833 2/20 0.35
SLC40A1 Q9NP59 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGFR P00533 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
PTGS2 P35354 1/20 0.34
PIP4K2A P48426 2/20 0.34
PIP4K2C Q8TBX8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIP4K2B P78356 1/20 0.34

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
SCHEMBL4130748 0.92 POLB (0.36) NAMPTSLC40A1TDP1ALDH1A1
SCHEMBL4130108 0.91 NFE2L2 (0.41) NAMPTGRM4SLC40A1EGFRALDH1A1
SCHEMBL4125903 0.88 NAMPT (0.38) NAMPTCYP2C9HTTATMGRM4
SCHEMBL4127145 0.85 HTT (0.36) NAMPTCYP2C9HTTATMGRM4
SCHEMBL4117665 0.82 LIPG (0.34) NAMPTPIP4K2APIP4K2C
SCHEMBL4117748 0.81 LIPG (0.32) GRM4SLC40A1PIP4K2APIP4K2C
SCHEMBL4125700 0.81 ALDH1A1 (0.38) NAMPTALDH1A1
SCHEMBL4126636 0.80 GAA (0.39) NAMPTCYP2C9HTTGRM4TDP1
SCHEMBL4125303 0.80 NAMPT (0.37) NAMPTCYP2C9HTTATMGRM4
SCHEMBL4132664 0.80 NAMPT (0.38) NAMPTCYP2C9TDP1MEN1KMT2A

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 NAMPT 2129/4885CYP2C9 689/4885HTT 3967/4885

“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.