SCHEMBL4124020

SCHEMBL4124020

O=C(O)NCCc1nc(-c2cccnc2F)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
SLC40A1 Q9NP59 14/20 0.41
PDPK1 O15530 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PIK3CG P48736 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL4132861 0.84 SMN1; SMN2 (0.55) MAPK1MAPTLMNANPC1ALDH1A1
SCHEMBL4124015 0.77 GRM1 (0.40) MAPTNPC1ALDH1A1GAARAB9A
SCHEMBL4118036 0.77 DHODH (0.36) SLC40A1NPC1RAB9A
SCHEMBL4135851 0.76 GSK3B (0.39) PDPK1
SCHEMBL3654452 0.76 PIK3CG (0.37) MAPTLMNAPDPK1NPC1ALDH1A1
SCHEMBL20532660 0.75 SLC40A1 (0.66) SLC40A1
SCHEMBL4135557 0.75 SLC40A1 (0.36) SLC40A1
SCHEMBL3654456 0.73 NPC1 (0.36) MAPTNPC1ALDH1A1GAARAB9A
SCHEMBL4139211 0.72 LIPG (0.36) SLC40A1
SCHEMBL4131563 0.71 NAPRT (0.35) NPC1RAB9A

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 MAPK1 2423/4885MAPT 4258/4885LMNA 4283/4885

“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.