SCHEMBL2528296

SCHEMBL2528296

COc1cccc(N2CCN(c3ccc(N)cn3)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
NPC1 O15118 3/20 0.60
MAPT P10636 2/20 0.60
RAB9A P51151 2/20 0.60
DHFR P00374 2/20 0.58
KDM4E B2RXH2 3/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
BRCA1 P38398 1/20 0.55
HBB P68871 1/20 0.55
HSD17B10 Q99714 1/20 0.55
C1S P09871 1/20 0.53
ADRB1 P08588 1/20 0.51
DRD2 P14416 1/20 0.50
KCNH2 Q12809 1/20 0.50
GFER P55789 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL2493902 0.85 KMT2A (0.57) ALDH1A1NPC1MAPTRAB9ADHFR
Hydrochloric Acid SCHEMBL7196123 0.84 ADRA2C (0.54) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL8931768 0.81 ADRA1A (0.55) ALDH1A1KDM4EKMT2AMEN1BRCA1
SCHEMBL29377667 0.79 KMT2A (0.57) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL2395006 0.79 KMT2A (0.57) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL8931718 0.79 KMT2A (0.54) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL11074672 0.79 ADRB1 (0.76) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL8931775 0.79 MEN1 (0.72) ALDH1A1NPC1MAPTRAB9AKDM4E
SCHEMBL16334422 0.78 DHFR (0.55) ALDH1A1NPC1MAPTRAB9ADHFR
SCHEMBL2494773 0.77 DHFR (0.59) ALDH1A1MAPTDHFRKDM4ECYP3A4

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
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
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-8211914-B2 Inhibitors of diacylglycerol acyltransferase MADRIGAL PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
EP-2378878-A1 INHIBITORS OF DIACYLGLYCEROL ACYLTRANSFERASE Via Pharmaceuticals, Inc. (US) 2011-10-26 EP 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
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-20100152445-A1 Inhibitors of Diacylglycerol Acyltransferase MADRIGAL PHARMACEUTICALS, INC. 2010-06-17 US disclosed
US-5650411-A BACTERICIDES FOR HELICOBACTER DISEASES AND BACTERIA RESISTANCE JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-22 US disclosed
CN-1118138-A Substituted azolone derivatives for treating diseases caused by helicobacter JANSSEN PHARMACEUTICA NV (BE) 1996-03-06 CN disclosed
EP-0684821-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1995-12-06 EP disclosed
WO-1994018978-A1 SUBSTITUTED AZOLONE DERIVATIVES FOR TREATING DISEASES CAUSED BY HELICOBACTER JANSSEN PHARMACEUTICA N.V. (BE) 1994-09-01 WO 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 ALDH1A1 1249/4885NPC1 1345/4885MAPT 3731/4885

“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.