SCHEMBL4129352

SCHEMBL4129352

O=C(O)NCc1nc(-c2ccccc2F)c(Sc2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ADORA2A P29274 5/20 0.35
ADORA1 P30542 5/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2B P29275 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
F2 P00734 1/20 0.34
OPRM1 P35372 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL4125428 0.89 MAPT (0.38) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL4106417 0.84 ADAMTS5 (0.41) MAPTALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL2844203 0.80 DPP4 (0.41) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3807956 0.80 MAPT (0.36) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3651908 0.80 MAPT (0.35) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL4125425 0.80 ALDH1A1 (0.36) MAPTSMN1; SMN2RAB9AALDH1A1NPC1
SCHEMBL3650614 0.79 CTSA (0.34) MAPTSMN1; SMN2ALDH1A1HSD17B10HPGD
SCHEMBL4131864 0.78 MAPT (0.35) MAPTSMN1; SMN2ALDH1A1KDM4EHSD17B10
SCHEMBL4131691 0.77 MAPT (0.41) MAPTSMN1; SMN2GAA
SCHEMBL3654417 0.77 MEN1 (0.33) MAPTSMN1; SMN2RAB9AALDH1A1NPC1

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 4327/4885RAB9A 167/4885

“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.