SCHEMBL4132861

SCHEMBL4132861

O=C(O)NCCc1nc(-c2ccccc2F)cs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MAPK1 P28482 2/20 0.51
LMNA P02545 2/20 0.50
HTR3A P46098 1/20 0.48
GSTO1 P78417 1/20 0.48
MPL P40238 1/20 0.48
ATM Q13315 1/20 0.45
VCP P55072 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA2B P29275 1/20 0.42
ADORA1 P30542 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL4124020 0.84 MAPK1 (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL27827192 0.78 NPC1 (0.53) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4141222 0.75 MAPT (0.40) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4132853 0.74 NPC1 (0.55) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL3652957 0.74 NPC1 (0.49) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL4125428 0.74 MAPT (0.38) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL1199164 0.73 NPC1 (0.61) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL20532660 0.73 SLC40A1 (0.66)
SCHEMBL7443407 0.73 NPC1 (0.56) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL31401007 0.72 MPL (0.58) SMN1; SMN2MAPTNPC1RAB9AALDH1A1

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 SMN1; SMN2 4327/4885MAPT 4258/4885NPC1 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.