SCHEMBL14083107

SCHEMBL14083107

COc1cccnc1-c1ccc(C(=O)Nc2ccc(Br)cn2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MITF O75030 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ ABCC1 P33527 1/20 0.44
▸ KCNQ3 O43525 1/20 0.44
▸ KCNQ2 O43526 1/20 0.44
▸ HTT P42858 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
SCHEMBL14083310 0.92 MEN1 (0.56) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083389 0.88 RAB9A (0.55) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083109 0.87 TRPV1 (0.57) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL14083680 0.85 NPC1 (0.55) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083135 0.83 RAB9A (0.54) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14084118 0.83 TRPV1 (0.58) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083791 0.83 RAB9A (0.53) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083078 0.83 TRPV1 (0.55) MEN1KMT2ANPC1RAB9ARXFP1
SCHEMBL14083089 0.81 MEN1 (0.51) MEN1KMT2ANPC1RAB9ACYP3A4
SCHEMBL14083096 0.81 KCNQ3 (0.56) MEN1KMT2ARAB9APOLBKCNQ3

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 MEN1 4218/4885KMT2A 4272/4885NPC1 1061/4885

“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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