SCHEMBL2298785

SCHEMBL2298785

O=C(O)C1(NC(=S)c2cc(-c3ccc(Nc4nc5ccc(F)cc5s4)cc3)no2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.45
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
MAPT P10636 7/20 0.45
DGAT1 O75907 3/20 0.45
CSGALNACT1 Q8TDX6 1/20 0.45
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PDPK1 O15530 1/20 0.40
DYRK1A Q13627 1/20 0.40
TP53 P04637 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
SCHEMBL2296550 0.93 DGAT1 (0.47) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2295820 0.91 DGAT1 (0.43) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2297708 0.90 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2297703 0.90 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2294242 0.84 DGAT1 (0.46) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2294548 0.83 NPC1 (0.57) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2296328 0.83 RAB9A (0.48) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2299637 0.81 DGAT1 (0.47) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2297494 0.81 MAPT (0.54) SMN1; SMN2RAB9ANPC1MAPTDGAT1
SCHEMBL2296238 0.81 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1MAPTDGAT1

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 6 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 claimed
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 4532/4885RAB9A 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.