SCHEMBL4130718

SCHEMBL4130718

Cc1ccc(F)cc1-n1nc(CCNC(=O)O)cc1Sc1ccc(Cl)nc1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.34
KCNQ2 O43526 5/20 0.34
KCNE1 P15382 2/20 0.34
KCNQ1 P51787 2/20 0.34
CNR1 P21554 7/20 0.33
MAPT P10636 1/20 0.33
P2RX7 Q99572 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CNR2 P34972 3/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
MAPK14 Q16539 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL4136940 0.92 KCNQ3 (0.34) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4131694 0.92 KCNQ3 (0.36) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4125531 0.90 CNR1 (0.40) KCNQ3KCNQ2CNR1P2RX7CNR2
SCHEMBL4118494 0.87 SMN1; SMN2 (0.33) KCNQ3KCNQ2KCNE1KCNQ1P2RX7
SCHEMBL4127374 0.86 SCN9A (0.37) KCNQ3KCNQ2CNR1P2RX7NPC1
SCHEMBL4125753 0.86 CNR1 (0.34) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4130354 0.86 RXRA (0.32) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4123908 0.85 SMN1; SMN2 (0.37) KCNQ3KCNQ2P2RX7NPC1RAB9A
SCHEMBL4135601 0.84 SMN1; SMN2 (0.34) KCNQ3KCNQ2NPC1RAB9ASMN1; SMN2
SCHEMBL4130715 0.84 KCNQ3 (0.32) KCNQ3KCNQ2KCNE1KCNQ1P2RX7

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 3933/4885KCNE1 3912/4885

“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.