SCHEMBL3314835

SCHEMBL3314835

COCCN(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 8/20 0.58
RXFP1 Q9HBX9 1/20 0.55
DGAT1 O75907 6/20 0.52
MAPT P10636 2/20 0.52
MPL P40238 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
GFER P55789 1/20 0.47

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
SCHEMBL10248489 0.76 ADORA3 (0.78) ADORA3RXFP1MAPTMPLSMN1; SMN2
SCHEMBL2304853 0.75 ADORA3 (0.74) ADORA3RXFP1MAPTMPLSMN1; SMN2
SCHEMBL3313526 0.75 ALDH1A1 (0.50) ADORA3RXFP1DGAT1MAPTSMN1; SMN2
SCHEMBL22079803 0.75 HCAR3 (0.52) DGAT1
SCHEMBL6942413 0.74 ADORA3 (1.00) ADORA3RXFP1MAPTSMN1; SMN2NPC1
SCHEMBL2355300 0.74 MAPT (0.51) ADORA3RXFP1MAPTSMN1; SMN2HTT
SCHEMBL3312659 0.74 ALDH1A1 (0.54) RXFP1DGAT1MPLSMN1; SMN2NPC1
SCHEMBL3311847 0.73 KDM4E (0.68) RXFP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL29530821 0.73 ADORA3 (1.00) ADORA3RXFP1MAPTMPLSMN1; SMN2
SCHEMBL9852328 0.71 SMN1; SMN2 (0.73) ADORA3RXFP1MAPTSMN1; SMN2NPC1

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 8 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 claimed
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
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 ADORA3 1254/4885RXFP1 3724/4885DGAT1 2/4885

“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.