SCHEMBL4132664

SCHEMBL4132664

O=C(O)NCCc1cc(-c2ccccc2Br)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.37
TBXAS1 P24557 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP2C9 P11712 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
SCHEMBL4130696 0.87 SLC22A12 (0.36) NAMPTALDH1A1POLBTBXAS1TDP1
SCHEMBL4130748 0.87 POLB (0.36) NAMPTALDH1A1POLBTBXAS1TDP1
SCHEMBL4132659 0.82 NAMPT (0.39) NAMPTALDH1A1PTGS2KDM4EMAPT
SCHEMBL3799194 0.81 ABCC9 (0.35) NAMPTPTGS2KDM4EMAPTCYP2C9
SCHEMBL4118026 0.81 NAMPT (0.38) NAMPTALDH1A1POLBMEN1NPC1
SCHEMBL4125903 0.80 NAMPT (0.38) NAMPTTDP1CYP2C9
SCHEMBL4138207 0.80 NAMPT (0.38) NAMPTALDH1A1TDP1PTGS2MEN1
SCHEMBL4126798 0.79 CA2 (0.38) ALDH1A1POLBTDP1MAPTMEN1
SCHEMBL3799201 0.78 PTGER2 (0.35) NAMPTKDM4EMAPTKMT2A
SCHEMBL4127145 0.78 HTT (0.36) NAMPTTDP1CYP2C9

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 2129/4885ALDH1A1 1497/4885POLB 4579/4885

“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.