SCHEMBL4125531

SCHEMBL4125531

O=C(O)NCCc1cc(Sc2ccc(Cl)nc2)n(-c2ccc(F)cc2F)n1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 0.40
CNR2 P34972 11/20 0.39
P2RX7 Q99572 1/20 0.36
KCNQ3 O43525 2/20 0.36
KCNQ2 O43526 2/20 0.36

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
SCHEMBL4131694 0.93 KCNQ3 (0.36) CNR1CNR2KCNQ3KCNQ2
SCHEMBL4125753 0.92 CNR1 (0.34) CNR1CNR2P2RX7KCNQ3KCNQ2
SCHEMBL4136940 0.91 KCNQ3 (0.34) CNR1CNR2P2RX7KCNQ3KCNQ2
SCHEMBL4130718 0.90 KCNQ3 (0.34) CNR1CNR2P2RX7KCNQ3KCNQ2
SCHEMBL4123908 0.90 SMN1; SMN2 (0.37) P2RX7KCNQ3KCNQ2
SCHEMBL4135601 0.86 SMN1; SMN2 (0.34) KCNQ3KCNQ2
SCHEMBL4127374 0.86 SCN9A (0.37) CNR1CNR2P2RX7KCNQ3KCNQ2
SCHEMBL4126946 0.86 KCNQ3 (0.35) P2RX7KCNQ3KCNQ2
SCHEMBL4130354 0.86 RXRA (0.32) CNR1CNR2KCNQ3KCNQ2
SCHEMBL4123630 0.85 MDM2 (0.38) KCNQ3KCNQ2

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 CNR1 938/4885CNR2 820/4885P2RX7 1303/4885

“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.