SCHEMBL1756309

SCHEMBL1756309

CCOC(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ GAA P10253 1/20 0.55
▸ AR P10275 3/20 0.51
▸ MAPT P10636 7/20 0.51
▸ PRKCZ Q05513 1/20 0.51
▸ PTPN11 Q06124 1/20 0.49
▸ XDH P47989 1/20 0.49
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ L3MBTL1 Q9Y468 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
SCHEMBL31301620 0.84 TRPM8 (0.51) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL21035478 0.81 MAPT (0.53) RAB9AMAPTPRKCZPTPN11MEN1
SCHEMBL2180059 0.81 ALDH1A1 (0.55) RAB9AGAAMAPTMEN1KMT2A
SCHEMBL1756208 0.79 XDH (0.57) RAB9AGAAMAPTXDHALDH1A1
SCHEMBL2822552 0.79 CDC7 (0.68) RAB9AGAAARMAPTPRKCZ
SCHEMBL27908158 0.78 XDH (0.56) RAB9AGAAMAPTXDHMEN1
SCHEMBL12644425 0.76 MAPT (0.48) RAB9AGAAMAPTXDHMEN1
SCHEMBL1756326 0.76 RAB9A (0.63) RAB9AGAAARMAPTPRKCZ
SCHEMBL5095729 0.76 RAB9A (0.57) RAB9AGAAARMAPTPRKCZ
SCHEMBL14541793 0.75 XDH (0.56) RAB9AGAAMAPTXDHMEN1

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-8722901-B2 Carboxy oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity Piramal Enterprises Limited (IN) 2014-05-13 — — US disclosed
EP-2496564-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS Piramal Life Sciences Limited (IN) 2012-09-12 — — EP disclosed
US-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY Piramal Enterprises Limited (IN) 2012-08-23 — — US disclosed
WO-2011055289-A2 HETEROARYL COMPOUNDS AS DGAT-1 INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-05-12 — — WO 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-20120214854-A1 CARBOXY OXAZOLE OR THIAZOLE COMPOUNDS AS DGAT- 1 INHIBITORS USEFUL FOR THE TREATMENT OF OBESITY DGAT1, DGAT2, DLAT RAB9A 3809/4885GAA 118/4885AR 3314/4885

“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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