SCHEMBL3588874

SCHEMBL3588874

CN(C)C(=O)Oc1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.62
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
LMNA P02545 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PDE10A Q9Y233 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.42
PKM P14618 2/20 0.42
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DHODH Q02127 2/20 0.41

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
SCHEMBL3585544 0.84 ALDH1A1 (0.53) TSPOALDH1A1KDM4ELMNATDP1
SCHEMBL13502464 0.84 TSPO (0.64) TSPOALDH1A1KDM4ELMNATDP1
SCHEMBL10970173 0.82 MEN1 (0.50) ALDH1A1KDM4ELMNATDP1NPSR1
SCHEMBL3584984 0.77 TSPO (1.00) TSPOALDH1A1KDM4ELMNATDP1
SCHEMBL10970985 0.77 ALOX5 (0.53) ALDH1A1KDM4ELMNATDP1NPSR1
SCHEMBL13502533 0.75 TSHR (0.45) ALDH1A1KDM4ELMNATDP1NPSR1
SCHEMBL8210570 0.75 ALOX5 (0.46) ALDH1A1KDM4ELMNATDP1NPSR1
SCHEMBL7735370 0.73 KDM4E (0.65) ALDH1A1KDM4ELMNATDP1NPSR1
SCHEMBL3586181 0.73 MEN1 (0.50) ALDH1A1KDM4ELMNATDP1KMT2A
SCHEMBL3592395 0.70 NR4A2 (0.55) ALDH1A1KDM4ETDP1L3MBTL1KMT2A

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 13 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
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
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
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
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
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 TSPO 289/4885ALDH1A1 2459/4885KDM4E 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.