SCHEMBL1756313

SCHEMBL1756313

COC(=O)C(NC(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.45
MAPT P10636 9/20 0.42
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
POLB P06746 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 5/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
LMNA P02545 4/20 0.40
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
GAA P10253 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP13 P45452 1/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40

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
SCHEMBL1756303 0.84 HDAC6 (0.41) FAAHMEN1KMT2ARAB9AMMP2
SCHEMBL2300388 0.80 LMNA (0.45) MAPTMEN1KMT2APOLBNPC1
SCHEMBL1756253 0.78 DGAT1 (0.47) MAPTALDH1A1LMNAMMP2MMP9
SCHEMBL1761789 0.78 TAS1R3 (0.54) MAPTMEN1KMT2APOLBNPC1
SCHEMBL1756210 0.76 DGAT1 (0.55) MEN1KMT2AALDH1A1THRBATM
SCHEMBL2294233 0.74 CSGALNACT1 (0.54)
SCHEMBL2294231 0.74 CSGALNACT1 (0.54)
SCHEMBL1756217 0.74 DGAT1 (0.56) MAPTMEN1KMT2APOLBNPC1
SCHEMBL1756284 0.74 CSGALNACT1 (0.54) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1756286 0.74 CSGALNACT1 (0.54) MAPTMEN1KMT2ANPC1RAB9A

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 FAAH 478/4885MAPT 2573/4885MEN1 4316/4885

“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.