SCHEMBL3585803

SCHEMBL3585803

O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK3 O43293 3/20 0.57
NOTUM Q6P988 6/20 0.53
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ALOX5 P09917 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PLCG2 P16885 1/20 0.50
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
KMT2A Q03164 1/20 0.49
F2 P00734 2/20 0.49
MASP2 O00187 1/20 0.49
CSNK2A2 P19784 1/20 0.49
CSNK2B P67870 1/20 0.49
CSNK2A1 P68400 1/20 0.49
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
KLKB1 P03952 1/20 0.48

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
SCHEMBL3585257 1.00 DAPK3 (0.57) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL3585256 1.00 DAPK3 (0.57) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL6789103 0.82 KMT2A (0.50) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL6789108 0.82 KMT2A (0.50) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL28342551 0.82 F2 (0.64) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL15452601 0.81 NOTUM (0.46) DAPK3NOTUMALDH1A1MAPTPOLB
SCHEMBL9437536 0.79 NOTUM (0.68) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL9437540 0.79 NOTUM (0.68) DAPK3NOTUMALDH1A1MAPTALOX5
SCHEMBL24534653 0.79 NOTUM (0.81) DAPK3NOTUMALDH1A1MAPTKDM4E
SCHEMBL29518588 0.79 NOTUM (0.81) DAPK3NOTUMALDH1A1MAPTKDM4E

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
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
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

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 DAPK3 946/4885NOTUM 1915/4885ALDH1A1 2459/4885

“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.