SCHEMBL4131694

SCHEMBL4131694

O=C(O)NCCc1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2F)n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 6/20 0.36
KCNQ2 O43526 6/20 0.36
CNR1 P21554 6/20 0.35
KCNE1 P15382 4/20 0.34
KCNQ1 P51787 4/20 0.34
CNR2 P34972 3/20 0.34
MDM2 Q00987 1/20 0.33
MAPK8 P45983 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
RIPK1 Q13546 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL4125531 0.93 CNR1 (0.40) KCNQ3KCNQ2CNR1CNR2
SCHEMBL4136940 0.93 KCNQ3 (0.34) KCNQ3KCNQ2CNR1KCNE1KCNQ1
SCHEMBL4130718 0.92 KCNQ3 (0.34) KCNQ3KCNQ2CNR1KCNE1KCNQ1
SCHEMBL4130354 0.92 RXRA (0.32) KCNQ3KCNQ2CNR1KCNE1KCNQ1
SCHEMBL4123908 0.90 SMN1; SMN2 (0.37) KCNQ3KCNQ2MAPK8RIPK1NPC1
SCHEMBL4125753 0.86 CNR1 (0.34) KCNQ3KCNQ2CNR1KCNE1KCNQ1
SCHEMBL4135601 0.86 SMN1; SMN2 (0.34) KCNQ3KCNQ2MDM2MAPK8RIPK1
SCHEMBL4127374 0.86 SCN9A (0.37) KCNQ3KCNQ2CNR1CNR2MAPK8
SCHEMBL4126946 0.86 KCNQ3 (0.35) KCNQ3KCNQ2KCNE1KCNQ1MAPK8
SCHEMBL4123630 0.85 MDM2 (0.38) KCNQ3KCNQ2MDM2RIPK1NPC1

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 KCNQ3 4287/4885KCNQ2 3933/4885CNR1 938/4885

“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.