SCHEMBL2301331

SCHEMBL2301331

COC(=O)C(NC(=O)c1nc(-c2ccc(NC(=S)Nc3ccccc3)cc2)no1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TACR3 P29371 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMPD1 P17405 1/20 0.41
HDAC4 P56524 1/20 0.41
CSGALNACT1 Q8TDX6 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL2301343 1.00 SMN1; SMN2 (0.46) SMN1; SMN2LMNAGAAHPGDSIRT2
SCHEMBL2297973 0.91 CSGALNACT1 (0.46) SMN1; SMN2LMNAGAAHPGDSIRT2
SCHEMBL2297977 0.91 CSGALNACT1 (0.46) SMN1; SMN2LMNAGAAHPGDSIRT2
SCHEMBL2295511 0.90 KMT2A (0.48) SMN1; SMN2LMNAHPGDSIRT2MEN1
SCHEMBL2295508 0.90 KMT2A (0.48) SMN1; SMN2LMNAHPGDSIRT2MEN1
SCHEMBL2296119 0.90 DGAT1 (0.43) SMN1; SMN2LMNAHPGDSIRT2MEN1
SCHEMBL2296122 0.90 DGAT1 (0.43) SMN1; SMN2LMNAHPGDSIRT2MEN1
SCHEMBL2296557 0.84 CSGALNACT1 (0.56) SMN1; SMN2LMNAGAAHPGDCSGALNACT1
SCHEMBL2296852 0.84 MAPT (0.47) SMN1; SMN2LMNAGAAHPGDSIRT2
SCHEMBL2296857 0.84 MAPT (0.47) SMN1; SMN2LMNAGAAHPGDSIRT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110196002-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED. 2011-08-11 US claimed
WO-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO claimed
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 SMN1; SMN2 4532/4885LMNA 3819/4885GAA 317/4885

“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.