SCHEMBL4136940

SCHEMBL4136940

O=C(O)NCCc1cc(Sc2ccc(Cl)nc2)n(-c2cc(F)ccc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 5/20 0.34
KCNQ2 O43526 5/20 0.34
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
CNR1 P21554 7/20 0.34
CNR2 P34972 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
SCD O00767 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
RXRG P48443 1/20 0.31
P2RX7 Q99572 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
SCHEMBL4131694 0.93 KCNQ3 (0.36) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4130718 0.92 KCNQ3 (0.34) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4125531 0.91 CNR1 (0.40) KCNQ3KCNQ2CNR1CNR2P2RX7
SCHEMBL2838664 0.88 SMN1; SMN2 (0.38) CNR1SMN1; SMN2NPC1RAB9AP2RX7
SCHEMBL4123630 0.86 MDM2 (0.38) KCNQ3KCNQ2SMN1; SMN2NPC1RAB9A
SCHEMBL4119116 0.86 ATM (0.35) CNR1CNR2POLBCDK4CCND1
SCHEMBL4123908 0.86 SMN1; SMN2 (0.37) KCNQ3KCNQ2SMN1; SMN2NPC1RAB9A
SCHEMBL4135601 0.85 SMN1; SMN2 (0.34) KCNQ3KCNQ2SMN1; SMN2NPC1RAB9A
SCHEMBL4125753 0.85 CNR1 (0.34) KCNQ3KCNQ2KCNE1KCNQ1CNR1
SCHEMBL4127374 0.85 SCN9A (0.37) KCNQ3KCNQ2CNR1CNR2SMN1; SMN2

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.