SCHEMBL2305301

SCHEMBL2305301

CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCc4ccccc4C3)nc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.51
GRIN3B O60391 3/20 0.51
GRIN1 Q05586 3/20 0.51
GRIN2A Q12879 3/20 0.51
GRIN2B Q13224 3/20 0.51
GRIN2C Q14957 3/20 0.51
GRIN3A Q8TCU5 3/20 0.51
KDR P35968 6/20 0.49
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 1/20 0.49
SCN9A Q15858 2/20 0.48
RAF1 P04049 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PDGFRB P09619 3/20 0.46
MAPK14 Q16539 1/20 0.46
KCNH2 Q12809 1/20 0.46
SCN5A Q14524 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46

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
SCHEMBL3793530 0.86 PTPN11 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3794388 0.85 KDM4E (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2304721 0.83 HDAC3 (0.54) HDAC3HDAC8HDAC6MAPTRAF1
SCHEMBL2302882 0.82 KCNH2 (0.53) HDAC3HDAC8HDAC6MAPTRAF1
SCHEMBL13363990 0.80 HDAC3 (0.51) HDAC3HDAC8HDAC6MAPTRAF1
SCHEMBL3785605 0.80 RAB9A (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2305203 0.80 RAF1 (0.52) KDRHDAC3HDAC8HDAC6MAPT
SCHEMBL3788726 0.78 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3307781 0.78 RAF1 (0.49) KDRHDAC3HDAC8HDAC6MAPT
SCHEMBL2304120 0.78 TBK1 (0.53) KDRHDAC3HDAC8HDAC6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 GRIN2D 1655/4885GRIN3B 2273/4885GRIN1 2564/4885

“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.