SCHEMBL265456

SCHEMBL265456

Cc1ccc(CC(=O)Nc2ncc(C)s2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.68
▸ NPC1 O15118 4/20 0.68
▸ RAB9A P51151 4/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ LMNA P02545 2/20 0.68
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ HTT P42858 2/20 0.61
▸ ALOX12 P18054 1/20 0.61
▸ MAPK10 P53779 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ MAPT P10636 1/20 0.56
▸ CCNE1 P24864 6/20 0.56
▸ CDK2 P24941 6/20 0.56
▸ CDK5 Q00535 6/20 0.56
▸ TP53 P04637 1/20 0.56
▸ PKM P14618 1/20 0.55
▸ CCNT1 O60563 1/20 0.54
▸ CDK1 P06493 1/20 0.54

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
SCHEMBL31206921 0.87 KMT2A (0.55) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31206965 0.84 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL5835800 0.83 CCNE1 (0.79) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207089 0.83 WNT3A (0.56) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207127 0.81 WNT3A (0.57) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31206996 0.81 PORCN (0.60) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207138 0.81 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207128 0.81 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207113 0.81 WNT3A (0.55) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1
SCHEMBL31207181 0.81 MEN1 (0.57) SMN1; SMN2NPC1RAB9AKMT2AALDH1A1

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 SMN1; SMN2 2018/4885NPC1 1723/4885RAB9A 4027/4885

“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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