SCHEMBL14083114

SCHEMBL14083114

COc1cccnc1-c1ccc(C(=O)Nc2ccnc(Cl)c2)cc1F

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 9/20 0.54
▸ KCNQ2 O43526 9/20 0.54
▸ GRM4 Q14833 2/20 0.47
▸ POLB P06746 1/20 0.46
▸ AURKB Q96GD4 1/20 0.44
▸ KCNE1 P15382 5/20 0.44
▸ KCNQ1 P51787 5/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ BCR P11274 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KCNQ5 Q9NR82 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GRM5 P41594 1/20 0.43
▸ LMNA P02545 1/20 0.43

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
SCHEMBL14083315 0.92 POLB (0.52) KCNQ3KCNQ2GRM4POLBAURKB
SCHEMBL14083397 0.90 MAPT (0.47) KCNQ3KCNQ2GRM4POLBAURKB
SCHEMBL14083098 0.88 SMN1; SMN2 (0.59) KCNQ3KCNQ2GRM4POLBABL1
SCHEMBL14083110 0.88 KCNQ3 (0.72) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14083096 0.88 KCNQ3 (0.56) KCNQ3KCNQ2GRM4POLBAURKB
SCHEMBL14083089 0.86 MEN1 (0.51) KCNQ3KCNQ2GRM4AURKBNPC1
SCHEMBL14083687 0.86 KCNQ3 (0.49) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5
SCHEMBL14083093 0.86 RXFP1 (0.56) GRM4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14083808 0.85 POLB (0.51) KCNQ3KCNQ2GRM4POLBAURKB
SCHEMBL14083145 0.84 TRPV1 (0.53) KCNQ3KCNQ2GRM4POLBAURKB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 KCNQ3 87/4885KCNQ2 67/4885GRM4 362/4885

“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.

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