SCHEMBL1121502

SCHEMBL1121502

Clc1nc2cccc(Br)c2o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.40
PSMB5 P28074 1/20 0.40
PDPK1 O15530 1/20 0.39
ELANE P08246 1/20 0.39
C1R P00736 4/20 0.37
KMT2A Q03164 1/20 0.37
BACE1 P56817 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL3954800 0.79 PSMB8 (0.59) PSMB8PSMB5ELANEC1RMAOA
SCHEMBL9305490 0.76 ACHE (0.43) PSMB8PSMB5KMT2AMAOAMAOB
SCHEMBL1463176 0.76 GABRP (0.41) PSMB8PSMB5ELANEC1RMAOA
SCHEMBL12355752 0.76 ELANE (0.41) PSMB8PSMB5ELANEMAOAMAOB
SCHEMBL5542949 0.76 ELANE (0.47) ELANEC1RKMT2ABACE1MAOA
SCHEMBL20297574 0.76 ELANE (0.47) ELANEC1RKMT2ABACE1MAOA
SCHEMBL21685060 0.76 MAPT (0.40) PSMB8PSMB5ELANEC1RKMT2A
SCHEMBL1121506 0.73 CA2 (0.44) PSMB8PSMB5KMT2AMAOBALDH1A1
SCHEMBL13865468 0.72 DHODH (0.58) ELANEC1RKMT2AALDH1A1ESR1
SCHEMBL21685149 0.72 ELANE (0.37) ELANEC1RKMT2ABACE1LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4705294-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS CCR4 MODULATORS Aurigene Oncology Limited (IN) 2026-03-11 EP disclosed
WO-2024228132-A1 FUSED BICYCLIC HETEROCYCLYL COMPOUNDS AS CCR4 MODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2024-11-07 WO disclosed
CN-111349090-B Fused heterocyclic aromatic hydrocarbon derivative, preparation and application thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-08-31 CN disclosed
CN-111349090-A Fused heterocyclic aromatic hydrocarbon derivative, preparation and application thereof 华中科技大学 2020-06-30 CN disclosed
CN-101253171-B Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE 2011-06-15 CN disclosed
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
CN-101253171-A Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives HOFFMANN LA ROCHE (CH) 2008-08-27 CN disclosed
EP-1924579-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 US disclosed
WO-2007025897-A2 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 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 (2 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R PSMB8 3036/4885PSMB5 544/4885PDPK1 3027/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R PSMB8 3036/4885PSMB5 544/4885PDPK1 3027/4885

“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.