SCHEMBL3422656

SCHEMBL3422656

NC(=O)c1[c]ccc(N2CCN(c3ccccc3)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 1/20 0.47
KMT2A Q03164 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
GFER P55789 1/20 0.41
KDM4E B2RXH2 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CHEK2 O96017 1/20 0.40

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
SCHEMBL3421759 0.86 CA12 (0.43) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL4965500 0.84 PARP1 (0.46) KMT2ANPC1MAPTALDH1A1GAA
SCHEMBL3422651 0.83 L3MBTL1 (0.51) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL3417566 0.83 MAPT (0.48) MAPTHPGDSMN1; SMN2KDM4ERPS6KB1
SCHEMBL2744706 0.83 AURKA (0.48) NPC1RAB9AMAPTALDH1A1GAA
SCHEMBL3420557 0.83 ALDH1A1 (0.49) KMT2ANPC1RAB9AMAPTALDH1A1
SCHEMBL2744690 0.83 KDM4E (0.45) KMT2AMAPTALDH1A1GAAHPGD
SCHEMBL2744970 0.83 PARP1 (0.49) ALDH1A1HTTKDM4E
SCHEMBL2744801 0.82 PARP1 (0.47) KMT2ANPC1MAPTALDH1A1GAA
SCHEMBL3422649 0.82 SORD (0.50) SORDKMT2ANPC1RAB9AMAPT

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-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US claimed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO claimed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US claimed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
WO-2010077861-A1 INHIBITORS OF DIACYLGLYCEROL ACLYTRANSFERASE VIA PHARMACEUTICALS, INC (US) 2010-07-08 WO disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 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-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase DGAT2, DGAT1, ACAT2 SORD 3011/4885KMT2A 845/4885NPC1 1345/4885

“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.