SCHEMBL14084033

SCHEMBL14084033

CCOc1ccc(NC(=O)c2ccc(-c3ncccc3Cl)cn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.61
▸ RAB9A P51151 5/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ MITF O75030 1/20 0.61
▸ TP53 P04637 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ P4HTM Q9NXG6 2/20 0.54
▸ TRPV1 Q8NER1 4/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MAPT P10636 2/20 0.50
▸ TAS1R3 Q7RTX0 2/20 0.49
▸ TAS1R1 Q7RTX1 2/20 0.49
▸ AURKA O14965 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL14084017 0.91 MAPT (0.52) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14083905 0.89 RAB9A (0.60) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14084034 0.88 GRM4 (0.48) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14083898 0.88 TRPV1 (0.70) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14083985 0.87 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EMITF
SCHEMBL14083981 0.86 RAB9A (0.57) NPC1RAB9ASMN1; SMN2KDM4EPKM
SCHEMBL14083999 0.85 TRPV1 (0.59) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL14083056 0.85 TRPV1 (0.58) NPC1RAB9ASMN1; SMN2P4HTMTRPV1
SCHEMBL14083946 0.84 TRPV1 (0.54) SMN1; SMN2TRPV1ALDH1A1KMT2AMAPT
SCHEMBL14084020 0.83 TRPV1 (0.60) NPC1RAB9ASMN1; SMN2TRPV1KMT2A

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 1061/4885RAB9A 1914/4885SMN1; SMN2 2099/4885

“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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