SCHEMBL331504

SCHEMBL331504

O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.62
EGFR P00533 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC1 Q13547 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
HDAC9 Q9UKV0 1/20 0.62
HDAC5 Q9UQL6 1/20 0.62
PLAU P00749 2/20 0.59
F2 P00734 1/20 0.59
F10 P00742 1/20 0.59
PLAT P00750 1/20 0.59
ALOX15 P16050 1/20 0.58
PTGS1 P23219 1/20 0.57
TBXAS1 P24557 1/20 0.57
MAPK1 P28482 1/20 0.57

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
SCHEMBL330395 0.87 TMPRSS4 (0.62) PLAUF2F10PLATALOX15
SCHEMBL330512 0.87 TMPRSS4 (0.62) EGFRPLAUF2F10PLAT
SCHEMBL467396 0.85 P2RX1 (0.77) HDAC3EGFRHDAC4HDAC1HDAC7
Bromochlorosalicylanilide SCHEMBL152257 0.85 P2RX1 (0.77) PLAUF2F10PLATALOX15
Dibromsalan SCHEMBL29496335 0.84 PLAU (0.73) EGFRPLAUF2F10PLAT
Dibromsalan SCHEMBL646973 0.84 PLAU (0.73) EGFRPLAUF2F10PLAT
SCHEMBL24460153 0.84 TMPRSS4 (0.64) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL30771726 0.84 TMPRSS4 (0.64) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL330383 0.84 TMPRSS4 (0.77) HDAC3EGFRHDAC4HDAC1HDAC7
SCHEMBL30771733 0.83 P2RX1 (0.63) HDAC3EGFRHDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1005347-A4 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP claimed
US-6255298-B1 USING AN AROMATIC AMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-07-03 US claimed
EP-1005347-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2000-06-07 EP claimed
WO-1999007382-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-02-18 WO claimed
US-8263657-B2 Blocking neurokinins; using a benzene compound containing hydroxy or acetoxy group; antiinflammatory agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-09-11 US disclosed
US-8097759-B2 Inflammatory cytokine release inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2012-01-17 US disclosed
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2010-10-28 US disclosed
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-07-30 US disclosed
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-12-25 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2008-10-09 US disclosed
EP-1847263-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-24 EP disclosed
EP-1844766-A2 Inhibitors against the production and release of inflammatory cytokines Institute of Medicinal Molecular Design, Inc. (JP) 2007-10-17 EP disclosed
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2004-12-23 US disclosed
EP-1352650-A1 INHIBITORS AGAINST THE PRODUCTION AND RELEASE OF INFLAMMATORY CYTOKINES Institute of Medicinal Molecular Design, Inc. (JP) 2003-10-15 EP disclosed
EP-1005347-A4 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORP (US) 2002-08-28 EP disclosed
US-6255298-B1 USING AN AROMATIC AMIDE COMPOUND SMITHKLINE BEECHAM CORPORATION 2001-07-03 US disclosed
EP-1005347-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORPORATION (US) 2000-06-07 EP disclosed
WO-1999007382-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS FOR USE IN THE TREATMENT OF CARDIOVASCULAR DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1999-02-18 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 (6 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-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA HDAC3 168/4885EGFR 4368/4885HDAC4 524/4885
US-20100274051-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HDAC3 57/4885EGFR 2680/4885HDAC4 230/4885
US-20090192122-A2 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HDAC3 57/4885EGFR 2825/4885HDAC4 211/4885
US-20080249071-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HDAC3 57/4885EGFR 2825/4885HDAC4 211/4885
US-20080318956-A1 INFLAMMATORY CYTOKINE RELEASE INHIBITOR IL1B, NFKBIA, IL1A HDAC3 57/4885EGFR 2825/4885HDAC4 211/4885
US-20040259877-A1 Inhibitors against the production and release of inflammatory cytokines NFKBIA, IL1B, IKBKB HDAC3 65/4885EGFR 3119/4885HDAC4 178/4885

“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.