SCHEMBL2493902

SCHEMBL2493902

COc1ccc(N2CCN(c3ccc(N)cn3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 5/20 0.56
RAB9A P51151 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPC1 O15118 2/20 0.56
DHFR P00374 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
GAA P10253 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL8931718 0.91 KMT2A (0.54) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2528296 0.85 ALDH1A1 (0.60) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2550544 0.82 TDP1 (0.64) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL8931652 0.82 MAPT (0.69) KMT2AMAPTRAB9AALDH1A1NPC1
SCHEMBL29499599 0.80 GRIN2D (0.59) KMT2AMEN1MAPTALDH1A1DHFR
SCHEMBL19998348 0.80 GRIN2D (0.59) KMT2AMEN1MAPTALDH1A1DHFR
SCHEMBL2491299 0.80 MAPT (0.66) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL2395006 0.80 KMT2A (0.57) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL29377667 0.80 KMT2A (0.57) KMT2AMEN1MAPTRAB9AALDH1A1
SCHEMBL3440028 0.78 CHKA (0.48) KMT2AMEN1MAPTRAB9AALDH1A1

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 17 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
US-5023258-A Triazole antifungal agents PFIZER INC. (US) 1991-06-11 US disclosed
EP-0352946-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-01-31 EP 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 KMT2A 845/4885MEN1 4244/4885MAPT 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.