SCHEMBL2494086

SCHEMBL2494086

COc1ccccc1N1CCN(c2ccc(N)cn2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
MAPT P10636 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 3/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
KMT2A Q03164 1/20 0.55
RELA Q04206 1/20 0.55
DRD2 P14416 4/20 0.55
DRD3 P35462 3/20 0.55
USP2 O75604 1/20 0.53
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50

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
SCHEMBL22495305 0.79 DRD2 (0.65) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL13273160 0.78 LMNA (0.57) LMNAALDH1A1MAPTSMN1; SMN2TP53
SCHEMBL29499599 0.78 GRIN2D (0.59) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL19998348 0.78 GRIN2D (0.59) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL2490601 0.78 KMT2A (0.53) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL8931660 0.78 MAPT (0.69) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL9203972 0.78 KMT2A (0.70) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL10834319 0.78 HTR3A (0.62) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL21261259 0.76 DRD2 (0.69) LMNAALDH1A1NPC1RAB9AMAPT
SCHEMBL2744824 0.75 OPRM1 (0.43) LMNAL3MBTL1ALDH1A1SMN1; SMN2KDM4E

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 LMNA 4374/4885L3MBTL1 1674/4885ALDH1A1 1249/4885

“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.