SCHEMBL2294519

SCHEMBL2294519

COC(=O)C(NC(=O)c1csc(-c2ccc(N)cc2)n1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.46
HDAC1 Q13547 5/20 0.45
HDAC6 Q9UBN7 4/20 0.45
HDAC8 Q9BY41 2/20 0.45
HPGD P15428 1/20 0.45
HDAC3 O15379 3/20 0.45
TLR7 Q9NYK1 3/20 0.44
TDP1 Q9NUW8 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TACR3 P29371 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL2294525 1.00 HPGDS (0.47) HPGDSRAB9ANPC1POLBGAA
SCHEMBL2298245 0.84 RAB9A (0.58) HPGDSRAB9ANPC1POLBGAA
SCHEMBL2298250 0.84 RAB9A (0.58) HPGDSRAB9ANPC1POLBGAA
SCHEMBL2301334 0.80 DGAT1 (0.52) RAB9ANPC1POLBHDAC1HDAC6
SCHEMBL2301344 0.80 DGAT1 (0.52) RAB9ANPC1POLBHDAC1HDAC6
SCHEMBL1756196 0.79 TACR3 (0.46) RAB9ANPC1POLBTDP1ALDH1A1
SCHEMBL2301342 0.79 CSGALNACT1 (0.52) POLBGAAHPGDTDP1SCN10A
SCHEMBL2301345 0.79 CSGALNACT1 (0.52) POLBGAAHPGDTDP1SCN10A
SCHEMBL26010550 0.78 RAB9A (0.42) HPGDSRAB9ANPC1POLBGAA
SCHEMBL2293820 0.77 DGAT1 (0.54) HPGDSRAB9ANPC1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8835428-B2 Diacylglycerol acyltransferase inhibitors Piramal Enterprises Limited (IN) 2014-09-16 US disclosed
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US disclosed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 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-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT HPGDS 721/4885RAB9A 3753/4885NPC1 436/4885

“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.