SCHEMBL973263

SCHEMBL973263

O=C(CBr)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.87
PTPN1 P18031 5/20 0.70
HAO1 Q9UJM8 1/20 0.61
HDAC1 Q13547 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
OGG1 O15527 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL70930 0.93 GSK3B (1.00) GSK3BPTPN1HAO1HDAC1HDAC8
Hydrochloric Acid SCHEMBL9064086 0.91 GSK3B (0.95) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL689331 0.91 GSK3B (0.83) GSK3BPTPN1HAO1
Carbamic Acid SCHEMBL1983191 0.85 GSK3B (0.83) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL27443988 0.83 GSK3B (0.61) GSK3BPTPN1HAO1HDAC1HDAC8
SCHEMBL205280 0.83 GSK3B (0.80) GSK3BPTPN1HDAC1HDAC8HDAC3
SCHEMBL15395891 0.83 GSK3B (0.70) GSK3BPTPN1HAO1
SCHEMBL316871 0.83 GSK3B (1.00) GSK3BPTPN1HAO1
SCHEMBL22004470 0.83 GSK3B (1.00) GSK3BPTPN1HAO1
SCHEMBL8260473 0.82 GSK3B (0.77) GSK3BPTPN1HDAC1HDAC8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
US-8779156-B2 Analogues for the treatment or prevention of flavivirus infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-07-15 US disclosed
EP-1582516-B1 Nitrogenous heterocyclic derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO (JP) 2013-07-17 EP disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
US-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-11 US disclosed
EP-2550267-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 EP disclosed
WO-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO disclosed
WO-2011154871-A1 HEPATITIS C VIRUS INHIBITORS PFIZER LIMITED (GB) 2011-12-15 WO disclosed
EP-1349850-B1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOD CONSEILS RECH APPLIC (FR) 2005-09-07 EP disclosed
US-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-04-22 US disclosed
EP-1349850-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2003-10-08 EP disclosed
EP-0790974-B1 SUBSTITUTED 4-BIARYLBUTYRIC OR 5-BIARYLPENTANOIC ACIDS AND DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITIORS BAYER AG (US) 2002-08-14 EP disclosed
WO-2002053559-A1 SODIUM CHANNEL MODULATORS DERIVED FROM 2-PIPERIDYLIMIDAZOLES SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-07-11 WO disclosed
EP-1217994-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS Bayer Aktiengesellschaft (DE) 2002-07-03 EP disclosed
WO-2001022951-A2 USE OF SUBSTITUTED 4-BIARYLBUTYRIC AND 5-BIARYLPENTANOIC ACID DERIVATIVES FOR THE TREATMENT OF MULTIPLE SCLEROSIS BAYER AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
US-6166082-A Substituted 5-biarylpentanoic acids and derivatives as matrix metalloprotease inhibitors BAYER CORPORATION (US) 2000-12-26 US disclosed
EP-1031349-A1 Use of substituted 4-biarylbutyric and 5-biarylpentanoic acid derivatives for the treatment of cerebral diseases Bayer Aktiengesellschaft (DE) 2000-08-30 EP disclosed
US-5789434-A ACID, ESTER OR AMIDE DERIVATIVES AS ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS AND REDUCTION OF CARTILAGE DETERIORATION BAYER CORPORATION (US) 1998-08-04 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 (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-20130090351-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, RRP1B, C1QBP GSK3B 3673/4885PTPN1 680/4885HAO1 2996/4885
US-20040077640-A1 Sodium channel modulators derived from 2-piperidylimidazoles KCNH1, HCN4, KCNH2 GSK3B 2351/4885PTPN1 1417/4885HAO1 1884/4885

“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.