SCHEMBL2300993

SCHEMBL2300993

O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(I)c(Cl)c4)cn3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 2/20 0.49
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
SMO Q99835 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 2/20 0.44
SLC2A1 P11166 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TRPV1 Q8NER1 1/20 0.44

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
SCHEMBL2301584 0.92 MAPT (0.50) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2302298 0.86 P2RY12 (0.53) MAPTRAB9AHTTKMT2ANPC1
SCHEMBL2356882 0.86 RAB9A (0.50) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2357604 0.82 RAB9A (0.56) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2305342 0.82 RAB9A (0.59) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2306037 0.80 RAB9A (0.60) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2305048 0.80 KCNQ3 (0.47) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL13328371 0.79 RAB9A (0.66) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2302973 0.79 P2RY12 (0.51) MAPTRAB9ASMN1; SMN2LMNAHTT
SCHEMBL2300464 0.78 RAB9A (0.64) MAPTRAB9ASMN1; SMN2KMT2ANPC1

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 15 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
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US 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 MAPT 4008/4885RAB9A 2586/4885SMN1; SMN2 4749/4885

“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.