SCHEMBL4408021

SCHEMBL4408021

Cn1c(=O)ccc2cc(CBr)ccc21

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BRPF1 P55201 9/20 0.57
▸ BRD4 O60885 3/20 0.50
▸ BRD9 Q9H8M2 3/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ KAT2B Q92831 1/20 0.50
▸ BRD1 O95696 2/20 0.43
▸ BRPF3 Q9ULD4 1/20 0.43
▸ ALOX5 P09917 9/20 0.43
▸ KCNA5 P22460 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42

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
SCHEMBL1119743 0.88 BRPF1 (0.52) BRPF1BRD4BRD9CA12CA9
SCHEMBL763370 0.84 BRPF1 (0.59) BRPF1BRD4BRD9CA12CA9
SCHEMBL9320188 0.83 BRPF1 (0.62) BRPF1BRD4BRD9CA12CA9
SCHEMBL9411117 0.83 BRPF1 (0.57) BRPF1BRD4BRD9CA12CA9
SCHEMBL13886419 0.81 BRPF1 (0.56) BRPF1BRD4BRD9CA12CA9
SCHEMBL17979340 0.81 BRPF1 (0.37) BRPF1ALOX5KCNA5
SCHEMBL14518794 0.80 BRPF1 (0.54) BRPF1BRD4BRD9CA12CA9
SCHEMBL9124674 0.80 ALOX5 (0.42) BRPF1ALOX5KCNA5
SCHEMBL9121051 0.78 SCN7A (0.36) BRPF1ALOX5
SCHEMBL13886461 0.78 BRPF1 (0.51) BRPF1BRD4BRD9CA12CA9

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2133340-B1 Novel benzazepine derivatives GLAXO GROUP LTD (GB) 2013-01-16 — — EP disclosed
EP-2133340-A1 Novel benzazepine derivatives Glaxo Group Limited (GB) 2009-12-16 — — EP disclosed
US-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor ZENECA LIMITED 2002-04-04 — — US disclosed
US-6251913-B1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor ZENECA LIMITED (GB) 2001-06-26 — — US disclosed
EP-0971895-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR AstraZeneca AB (SE) 2000-01-19 — — EP disclosed
EP-0667855-B1 SUBSTITUTED ARYLALKYNYL- AND HETEROARYLALKYNYL-N-HYDROXYUREA INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LAB (US) 1999-03-24 — — EP disclosed
WO-1998043959-A1 HYDROXAMIC ACIDS SUBSTITUTED BY HETEROCYCLES USEFUL FOR INHIBITION OF TUMOR NECROSIS FACTOR ZENECA LIMITED (GB) 1998-10-08 — — WO disclosed
US-5688822-A ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIALLERGEN G.D. SEARLE & CO. (US) 1997-11-18 — — US disclosed
US-5635514-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS G. D. SEARLE & COMPANY (US) 1997-06-03 — — US disclosed
US-5616596-A Substituted arylalkynyl-and heteroarylalkynl-N-hydroxyurea inhibitors of leukotriene biosynthesis ABBOTT LABORATORIES (US) 1997-04-01 — — US disclosed
US-5196419-A Lipoxygenase enzyme inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-23 — — US disclosed
EP-0505122-A1 Alpha, alpha-dialkylbenzyl derivatives ZENECA LIMITED (GB) 1992-09-23 — — EP disclosed
US-5134148-A Heterocycles for use as inhibitors of leukotrienes IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-28 — — US disclosed
US-5089495-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (FR) 1992-02-18 — — US disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 — — EP disclosed
EP-0462830-A2 Cyclic ether derivatives ZENECA LIMITED (GB) 1991-12-27 — — EP disclosed
EP-0385679-A2 Heterocyclic cyclic ethers with inhibitory activity on 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 — — EP disclosed
EP-0385663-A2 Heterocyclic cycloalkanes as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 — — EP disclosed
EP-0385662-A2 Heterocycles with inhibitory activity of 5-lipoxygenase ZENECA LIMITED (GB) 1990-09-05 — — EP disclosed
EP-0385680-A2 Heterocyclic ethers as 5-lipoxygenase inhibitors ZENECA LIMITED (GB) 1990-09-05 — — EP 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-20020040002-A1 Hydroxamic acids substituted by heterocycles useful for inhibition of tumor necrosis factor MMP1, HCAR1, MMP13 BRPF1 2341/4885BRD4 1676/4885BRD9 2665/4885

“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.

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