SCHEMBL265831

SCHEMBL265831

O=C(Nc1ccc(Cl)nc1)C(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 16/20 0.72
KCNQ2 O43526 16/20 0.72
KCNE1 P15382 12/20 0.57
KCNQ1 P51787 12/20 0.57
BACE1 P56817 1/20 0.54
ALDH1A1 P00352 1/20 0.50
P4HTM Q9NXG6 1/20 0.48
KCNJ11 Q14654 1/20 0.47
NAPRT Q6XQN6 1/20 0.46

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
SCHEMBL5217004 0.84 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL1504151 0.82 KCNQ3 (0.63) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL264953 0.81 RAB9A (0.51) KCNQ3KCNQ2P4HTM
SCHEMBL27822577 0.78 CES2 (0.62) ALDH1A1
SCHEMBL2436172 0.78 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL14339874 0.76 KCNQ3 (1.00) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6361424 0.76 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL30568974 0.76 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL6511264 0.75 NPC1 (0.59) ALDH1A1NAPRT
SCHEMBL896314 0.75 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
WO-2009153180-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-23 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 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-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 KCNQ3 2195/4885KCNQ2 2029/4885KCNE1 1409/4885

“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.