SCHEMBL3584983

SCHEMBL3584983

OC(c1ccccc1)c1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 6/20 0.47
PKM P14618 1/20 0.47
ADORA2A P29274 1/20 0.46
L3MBTL1 Q9Y468 4/20 0.46
LMNA P02545 6/20 0.46
GAA P10253 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.44
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
PDE10A Q9Y233 2/20 0.40
TSHR P16473 1/20 0.40
ATM Q13315 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
SCHEMBL13836819 0.77 KMT2A (0.49) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL1102422 0.76 TDP1 (0.55) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL3661077 0.76 TDP1 (0.55) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL14923045 0.75 KDM4E (0.50) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL29382173 0.73 KDM4E (0.74) KMT2AMEN1KDM4EPKMADORA2A
SCHEMBL732131 0.73 KDM4E (0.74) KMT2AMEN1KDM4EPKMADORA2A
SCHEMBL24702664 0.73 TDP1 (0.56) KMT2AMEN1KDM4EPKML3MBTL1
SCHEMBL3579261 0.72 ADORA2A (0.59) KMT2AMEN1ADORA2ALMNANPSR1
SCHEMBL28710728 0.71 KDM4E (0.71) KMT2AMEN1KDM4EPKMADORA2A
SCHEMBL865711 0.71 KDM4E (0.71) KMT2AMEN1KDM4EPKMADORA2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061764-B1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RES & DEV FOUNDATION (IL) 2014-07-02 EP disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
US-8541428-B2 Heterocyclic derivatives, pharmaceutical compositions and methods of use thereof TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2013-09-24 US disclosed
EP-2589597-A2 Heterocyclic derivatives binding to the peripheral-type benzodiazepine receptor (PBR) Technion Research & Development Foundation (IL) 2013-05-08 EP disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
US-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2010-02-04 US disclosed
EP-2061764-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) Technion Research & Development Foundation LTD. (IL) 2009-05-27 EP disclosed
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 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-20100029658-A1 HETEROCYCLIC DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF NQO1, SIRT5, KEAP1 KMT2A 2240/4885MEN1 1210/4885KDM4E 1814/4885

“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.