SCHEMBL4113349

SCHEMBL4113349

Clc1ccc(-c2nc(CBr)ns2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.58
ADORA2A P29274 2/20 0.58
ADORA2B P29275 2/20 0.58
ADORA1 P30542 2/20 0.58
GFER P55789 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
PPARD Q03181 1/20 0.40
KDM4E B2RXH2 3/20 0.38
NOTUM Q6P988 2/20 0.38
CYP19A1 P11511 2/20 0.38
GAA P10253 2/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL4117787 0.84 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL12811420 0.84 ADORA3 (0.56) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL13934201 0.81 ALDH1A1 (0.40) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4102193 0.81 ABL1 (0.47) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL4109517 0.77 PPARD (0.44) GFERALDH1A1KMT2AMAPTMEN1
SCHEMBL17377378 0.77 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL31120321 0.75 CYP19A1 (0.66) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL2361575 0.73 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL2361574 0.73 ADORA3 (0.61) ADORA3ADORA2AADORA2BADORA1GFER
SCHEMBL634227 0.73 ADORA3 (1.00) ADORA3ADORA2AADORA2BADORA1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 US disclosed
US-8492414-B2 Antibacterial agents BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2013-07-23 US disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 US disclosed
US-20100273837-A1 ANTIBACTERIAL AGENTS BIOTA EUROPE LTD. (GB) 2010-10-28 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS KUO GEE-HONG 2009-05-21 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
US-7498351-B2 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-03 US disclosed
EP-1684752-B1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA NV (BE) 2007-05-16 EP disclosed
CN-1897939-A Phenoxyacetic acid derivatives useful as peroxisome proliferator-activated receptor (PPAR) dual agonists JANSSEN PHARMACEUTICA NV (BE) 2007-01-17 CN disclosed
EP-1684752-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2006-08-02 EP disclosed
US-7015329-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N. V. (BE) 2006-03-21 US disclosed
WO-2005041959-A1 PHENOXYACETIC ACIDS DERIVATIVES USEFUL AS PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR (PPAR) DUAL AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-12 WO disclosed
US-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-05 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 (3 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-20050096362-A1 4-((Phenoxyalkyl)thio)-phenoxyacetic acids and analogs PPARA, PPARG, PPARD ADORA3 1230/4885ADORA2A 978/4885ADORA2B 2156/4885
US-20090131489-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ADORA3 1230/4885ADORA2A 978/4885ADORA2B 2156/4885
US-20100273837-A1 ANTIBACTERIAL AGENTS SQOR, SCO2, CYCS ADORA3 2321/4885ADORA2A 4389/4885ADORA2B 3561/4885

“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.