SCHEMBL14083722

SCHEMBL14083722

O=C(Nc1ccc(-c2cnco2)cc1)c1ccc(-c2ncccc2Cl)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ PKM P14618 2/20 0.57
▸ RAB9A P51151 3/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ TRPV1 Q8NER1 5/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ HTT P42858 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KCNQ3 O43525 3/20 0.44
▸ KCNQ2 O43526 3/20 0.44
▸ KCNE1 P15382 2/20 0.44
▸ KCNQ1 P51787 2/20 0.44
▸ KCNQ5 Q9NR82 2/20 0.44
▸ IMPDH2 P12268 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42

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
SCHEMBL14083851 0.87 KDM4E (0.55) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL14083900 0.86 NPC1 (0.69) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL14083707 0.83 TRPV1 (0.56) TRPV1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL14083676 0.83 TRPV1 (0.56) NPC1KDM4ERAB9ATRPV1MEN1
SCHEMBL14083635 0.83 TRPV1 (0.56) TRPV1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL14083633 0.82 TRPV1 (0.54) NPC1KDM4ERAB9AALDH1A1TRPV1
SCHEMBL14083706 0.81 TRPV1 (0.54) TRPV1MEN1KMT2AKCNQ3KCNQ2
SCHEMBL14083670 0.81 CYP11B2 (0.65) NPC1LMNAHTTMEN1KMT2A
SCHEMBL14083063 0.80 NPC1 (0.57) NPC1KDM4EPKMRAB9AALDH1A1
SCHEMBL14083685 0.80 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1KCNQ5

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 NPC1 1061/4885KDM4E 4231/4885PKM 2195/4885

“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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