SCHEMBL4129852

SCHEMBL4129852

O=C(O)NCCc1nc(-c2ccccc2F)c(Sc2ccc(Cl)nc2)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
SLC40A1 Q9NP59 4/20 0.34
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 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
SCHEMBL4138889 0.89 NPC1 (0.34) SMN1; SMN2NPC1RAB9ASLC40A1
SCHEMBL4125428 0.87 MAPT (0.38) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4129846 0.81 ALDH1A1 (0.33) MAPTLMNAALDH1A1
SCHEMBL3651371 0.81 CTSA (0.33) ALDH1A1
SCHEMBL4125990 0.81 MAPT (0.38) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL3807956 0.80 MAPT (0.36) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4135584 0.79 GAA (0.39) HIF1ASMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4131864 0.79 MAPT (0.35) HIF1ASMN1; SMN2MAPTTP53LMNA
SCHEMBL4131691 0.78 MAPT (0.41) SMN1; SMN2MAPTTP53LMNAGAA
SCHEMBL4120354 0.78 CTSA (0.35) SMN1; SMN2MAPTTP53LMNATHRB

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 HIF1A 3779/4885SMN1; SMN2 4327/4885NPC1 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.