SCHEMBL2303364

SCHEMBL2303364

O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.56
GAA P10253 1/20 0.56
XPO1 O14980 3/20 0.55
HDAC3 O15379 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
TSHR P16473 3/20 0.49
SERPINE1 P05121 2/20 0.49
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
TMPRSS4 Q9NRS4 1/20 0.49
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL2303406 0.81 P2RX1 (0.62) TP53GAAXPO1HDAC3HDAC8
SCHEMBL2356592 0.81 MAPT (0.54) TP53GAAXPO1HDAC3HDAC8
SCHEMBL2307735 0.80 SLC2A1 (0.56) TP53MEN1MAPTKMT2AHTT
SCHEMBL5465905 0.77 CA12 (0.56) TSHRMEN1MAPTKMT2AHTT
SCHEMBL13328375 0.77 MAPT (0.57) TP53GAAXPO1HDAC3MEN1
SCHEMBL25226228 0.77 CYP1A2 (0.58) XPO1HDAC8TSHRMEN1MAPT
SCHEMBL26075656 0.77 PPARG (0.62) GAAHDAC8TSHRSERPINE1MEN1
SCHEMBL30883140 0.76 SERPINE1 (0.61) TSHRSERPINE1MEN1MAPTKMT2A
SCHEMBL2949476 0.75 TMPRSS4 (0.53) GAAHDAC8TSHRMEN1MAPT
SCHEMBL30883145 0.74 XPO1 (0.52) TP53GAAXPO1TSHRSERPINE1

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 11 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
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
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 TP53 4044/4885GAA 708/4885XPO1 4778/4885

“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.