SCHEMBL4094100

SCHEMBL4094100

O=S(=O)(c1ccccc1)n1ccc2cc(CBr)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.63
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
MEN1 O00255 2/20 0.60
HTT P42858 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.59

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
SCHEMBL28794515 0.89 HDAC3 (0.67) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20488791 0.86 HTR6 (0.69) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL31279869 0.86 HDAC1 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL20946377 0.86 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL4504878 0.86 HTR6 (0.63) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL8932772 0.86 HDAC1 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19268814 0.86 HTR6 (0.66) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9094697 0.82 HTR6 (0.59) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL3526978 0.81 HTR6 (0.68) HTR6HDAC3HDAC4HDAC1HDAC7
SCHEMBL34460046 0.81 HTR6 (0.68) HTR6HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254864-B1 SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES FOR THE TREATMENT OF PAIN GRUENENTHAL GMBH (DE) 2014-05-14 EP disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-20090215725-A1 Substituted 4-aminocyclohexane derivatives GRUNENTHAL GMBH (DE) 2009-08-27 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 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-20090215725-A1 Substituted 4-aminocyclohexane derivatives OPRL1, OPRD1, OPRK1 HTR6 305/4885HDAC3 1547/4885HDAC4 1596/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 HTR6 2780/4885HDAC3 152/4885HDAC4 74/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS HTR6 2442/4885HDAC3 2863/4885HDAC4 2087/4885

“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.