SCHEMBL4132297

SCHEMBL4132297

O=C(O)NCCc1nc(-c2ccccc2F)c(S(=O)(=O)c2cccnc2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.36
NAMPT P43490 7/20 0.36
ATM Q13315 1/20 0.35
HIF1A Q16665 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 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
SCHEMBL4118513 0.91 MAPT (0.37) KMT2AGAASMN1; SMN2ALDH1A1HIF1A
SCHEMBL4131245 0.90 ALDH1A1 (0.34) ALDH1A1NAMPTPOLB
SCHEMBL4135584 0.85 GAA (0.39) GAANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4129177 0.84 KAT6A (0.39) KMT2AGAANPC1RAB9ASMN1; SMN2
SCHEMBL4139211 0.83 LIPG (0.36) NAMPTATMCYP2C9
SCHEMBL4120397 0.83 MAPT (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT
SCHEMBL4119867 0.82 MAPT (0.41) KMT2AGAASMN1; SMN2ALDH1A1NAMPT
SCHEMBL4132293 0.81 NAMPT (0.39) KMT2AGAANPC1RAB9ASMN1; SMN2
Fumaric Acid SCHEMBL3651880 0.81 GAA (0.40) KMT2AGAANPC1RAB9ASMN1; SMN2
Fumaric Acid SCHEMBL3651885 0.81 GAA (0.40) KMT2AGAANPC1RAB9ASMN1; SMN2

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 KMT2A 4776/4885GAA 7/4885NPC1 53/4885

“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.