SCHEMBL2300487

SCHEMBL2300487

Cc1sc(NC(=O)c2ccc(N3CCC(c4cccc(C(F)(F)F)c4)CC3)nc2)nc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.53
MPL P40238 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
DGAT1 O75907 1/20 0.42
SCN9A Q15858 1/20 0.41
RAF1 P04049 3/20 0.41
BRAF P15056 2/20 0.41

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
SCHEMBL13328319 0.95 ADORA3 (0.47) ADORA3MPLKDM4EALDH1A1LMNA
SCHEMBL13328316 0.94 ADORA3 (0.50) ADORA3MPLKDM4EALDH1A1MAPT
SCHEMBL13364019 0.94 PLTP (0.47) ADORA3MPLKDM4EALDH1A1LMNA
SCHEMBL13328313 0.93 MPL (0.50) ADORA3MPLKDM4EMAPT
SCHEMBL13328324 0.92 ADORA3 (0.56) ADORA3MPLKDM4EALDH1A1LMNA
SCHEMBL2358584 0.90 ADORA3 (0.51) ADORA3MPLALDH1A1TRPV4DGAT1
SCHEMBL13328317 0.90 ADORA3 (0.61) ADORA3MPLKDM4EALDH1A1LMNA
SCHEMBL2363666 0.89 ADORA3 (0.50) ADORA3KDM4EALDH1A1LMNAKMT2A
SCHEMBL3315591 0.88 ADORA3 (0.50) ADORA3MPLKDM4EALDH1A1LMNA
SCHEMBL2304751 0.85 MPL (0.48) ADORA3MPLMAPTDGAT1

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-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

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 1254/4885MPL 1091/4885KDM4E 3683/4885

“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.