SCHEMBL3311207

SCHEMBL3311207

O=C(Nc1ccc2c(c1)CCC2)c1ccc(N2CCNCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.64
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NFKB1 P19838 3/20 0.61
NFKB2 Q00653 3/20 0.61
RELA Q04206 3/20 0.61
MAPT P10636 3/20 0.61
TP53 P04637 2/20 0.61
ALDH1A1 P00352 2/20 0.61
MELK Q14680 3/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
LY96 Q9Y6Y9 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL18553739 0.98 SLC2A1 (0.61) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2302433 0.86 SLC2A1 (0.71) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL20376653 0.86 SLC2A1 (0.65) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL24891825 0.84 RAB9A (0.64) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2303182 0.84 SLC2A1 (0.68) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL1663115 0.80 ALDH1A1 (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL8769785 0.80 RAB9A (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL24670140 0.80 NPC1 (0.76) RAB9ANPC1SMN1; SMN2MAPTTP53
SCHEMBL1535788 0.79 MAPT (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL3314789 0.78 NPC1 (0.63) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1

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 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
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 SLC2A1 309/4885RAB9A 2586/4885NPC1 432/4885

“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.