SCHEMBL4135557

SCHEMBL4135557

O=C(O)NCCc1nc(-c2cccnc2F)c(Sc2ccccc2)s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 16/20 0.36
DHODH Q02127 1/20 0.35
ATM Q13315 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 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
SCHEMBL4118238 0.90 POLB (0.39) SLC40A1DHODHKMT2AMAPK14
SCHEMBL4123415 0.88 MAPK14 (0.34) SLC40A1DHODHMAPK14
SCHEMBL4138889 0.88 NPC1 (0.34) SLC40A1DHODH
SCHEMBL4137742 0.87 GSK3B (0.38) DHODHKMT2AMAPK14
SCHEMBL4125428 0.87 MAPT (0.38) SLC40A1ATM
SCHEMBL4130943 0.86 MAPT (0.38)
SCHEMBL4118036 0.82 DHODH (0.36) SLC40A1DHODHKMT2A
SCHEMBL4135549 0.80 DHODH (0.36) DHODHATMKMT2A
SCHEMBL3655560 0.79 DHODH (0.34) DHODHKMT2AMAPK14
SCHEMBL4139211 0.79 LIPG (0.36) SLC40A1DHODHATM

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 SLC40A1 2890/4885DHODH 1560/4885ATM 4850/4885

“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.