SCHEMBL3799808

SCHEMBL3799808

CC(C)(C)c1ccc(-n2nc(N)c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.42
HTT P42858 3/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPBWR1 P48145 1/20 0.40
HSD11B1 P28845 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
XDH P47989 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS2 P35354 1/20 0.39
POLB P06746 1/20 0.39
PTPN11 Q06124 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL3803809 0.87 KEAP1 (0.47) MAPTHTTHPGDLMNARAB9A
SCHEMBL3649707 0.83 L3MBTL1 (0.50) MAPTHPGDLMNARAB9ANPC1
SCHEMBL3803180 0.80 SMN1; SMN2 (0.39) MAPTHTTHPGDRAB9ANPC1
SCHEMBL6852637 0.75 NPC1 (0.53) MAPTHPGDLMNARAB9ANPC1
SCHEMBL3655742 0.74 L3MBTL1 (0.62) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL4062521 0.74 NPC1 (0.50) MAPTHTTHPGDLMNARAB9A
SCHEMBL4064094 0.74 NPC1 (0.47) MAPTHTTHPGDLMNARAB9A
SCHEMBL28813787 0.71 L3MBTL1 (0.45) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL3652754 0.71 MEN1 (0.51) MAPTHTTLMNAALDH1A1TDP1
SCHEMBL3652448 0.71 MAPT (0.51) MAPTLMNAALDH1A1TDP1L3MBTL1

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
EP-2197875-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-06-23 EP disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
WO-2009037222-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2009-03-26 WO disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 US disclosed
US-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. 2009-03-19 US 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-20090076275-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT2, DGAT1, LCAT MAPT 3561/4885HTT 4031/4885HPGD 838/4885

“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.