SCHEMBL4125428

SCHEMBL4125428

O=C(O)NCCc1nc(-c2ccccc2F)c(Sc2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
THRB P10828 2/20 0.37
HIF1A Q16665 1/20 0.37
TP53 P04637 4/20 0.36
LMNA P02545 4/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
SLC40A1 Q9NP59 3/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL3807956 0.90 MAPT (0.36) MAPTSMN1; SMN2THRBHIF1ATP53
SCHEMBL4129352 0.89 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1GAANPC1
SCHEMBL4131864 0.88 MAPT (0.35) MAPTSMN1; SMN2THRBHIF1ATP53
SCHEMBL4131691 0.88 MAPT (0.41) MAPTSMN1; SMN2TP53LMNAGAA
SCHEMBL4135557 0.87 SLC40A1 (0.36) ATMSLC40A1
SCHEMBL4129852 0.87 HIF1A (0.38) MAPTSMN1; SMN2THRBHIF1ATP53
SCHEMBL4125990 0.86 MAPT (0.38) MAPTSMN1; SMN2THRBHIF1ATP53
SCHEMBL4120354 0.85 CTSA (0.35) MAPTSMN1; SMN2THRBTP53LMNA
SCHEMBL4126518 0.84 MAPK1 (0.38) MAPTSMN1; SMN2HIF1ALMNAALDH1A1
SCHEMBL4141222 0.81 MAPT (0.40) MAPTSMN1; SMN2THRBHIF1ATP53

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 MAPT 4258/4885SMN1; SMN2 4327/4885THRB 3537/4885

“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.