SCHEMBL3422649

SCHEMBL3422649

NC(=O)c1[c]ccc(N2CCN(c3ncccn3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORD Q00796 3/20 0.50
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
PARP1 P09874 1/20 0.44
KDM4E B2RXH2 5/20 0.42
CYP2C19 P33261 2/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PARP14 Q460N5 1/20 0.40
GAA P10253 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 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
SCHEMBL4965500 0.83 PARP1 (0.46) NPC1PARP1KDM4EALDH1A1MEN1
SCHEMBL3422656 0.82 SORD (0.47) SORDNPC1RAB9AKDM4ECYP2C19
SCHEMBL2744970 0.82 PARP1 (0.49) PARP1KDM4EALDH1A1CYP1A2
SCHEMBL2744801 0.81 PARP1 (0.47) NPC1PARP1KDM4EALDH1A1MEN1
SCHEMBL2744466 0.81 KDM4E (0.54) KDM4ECYP2C19ALDH1A1KMT2ACYP1A2
SCHEMBL3668358 0.80 MAP4K4 (0.47) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2792634 0.79 CNR2 (0.36) SORDRAB9APARP1KDM4EALDH1A1
SCHEMBL701826 0.79 HRH3 (0.44) KDM4EALDH1A1CYP1A2
SCHEMBL2744690 0.79 KDM4E (0.45) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL2829654 0.78 HRH3 (0.47)

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 3011/4885NPC1 1345/4885RAB9A 2547/4885

“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.