SCHEMBL14083791

SCHEMBL14083791

COc1cc(C(=O)Nc2ccc(Br)cn2)ccc1-c1ncccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.53
▸ NPC1 O15118 6/20 0.53
▸ TP53 P04637 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 7/20 0.53
▸ MEN1 O00255 6/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.53
▸ POLB P06746 1/20 0.48
▸ MITF O75030 1/20 0.48
▸ ABCB1 P08183 1/20 0.47
▸ ABCC1 P33527 1/20 0.47
▸ MAPT P10636 3/20 0.46
▸ HTT P42858 1/20 0.46
▸ FGFR3 P22607 1/20 0.45
▸ PKM P14618 1/20 0.45

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 0.91 MEN1 (0.56) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083389 0.89 RAB9A (0.55) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083680 0.86 NPC1 (0.55) RAB9ANPC1TP53SMN1; SMN2KMT2A
SCHEMBL14082834 0.85 TRPV1 (0.57) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083078 0.85 TRPV1 (0.55) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083778 0.84 POLB (0.50) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083107 0.83 MEN1 (0.52) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083742 0.83 MAPT (0.49) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL14083835 0.82 AURKB (0.56) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14082835 0.82 POLB (0.50) RAB9ANPC1TP53CYP1A2CYP2D6

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 RAB9A 1914/4885NPC1 1061/4885TP53 4256/4885

“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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