SCHEMBL3475772

SCHEMBL3475772

N#Cc1cc[n+]([O-])c(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.40
VCAM1 P19320 2/20 0.38
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
ABCC9 O60706 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ11 Q14654 1/20 0.31
KCNJ8 Q15842 1/20 0.31
TSHR P16473 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
ENPP2 Q13822 1/20 0.31
CYP2A6 P11509 1/20 0.30
AR P10275 2/20 0.30

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
SCHEMBL8270009 0.75 HDAC8 (0.45) HDAC8VCAM1ABCC9ABCC8KCNJ11
SCHEMBL26607249 0.71 VCAM1 (0.39) VCAM1CA1CA2MAOAMAOB
SCHEMBL2710607 0.68 MAOA (0.36) HDAC8VCAM1CA1CA2MAOA
SCHEMBL190424 0.67
SCHEMBL8577594 0.67 TRPV4 (0.40) HDAC8ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL11821883 0.67 HDAC8 (0.40) HDAC8VCAM1CA1CA2ABCC9
Hydrochloric Acid SCHEMBL6177309 0.65 ALDH1A1 (0.33)
SCHEMBL10964067 0.64 TSHR (0.33) TSHR
SCHEMBL7844027 0.62 DYRK1A (0.34) HDAC8TSHR
SCHEMBL2145857 0.62 PDE2A (0.34) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004188-B1 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2010-09-01 EP disclosed
US-7589087-B2 Benzoimidazol-2-yl pyridines as modulators of the histamine H4receptor JANSSEN PHARMACEUTICA, N.V. (BE) 2009-09-15 US disclosed
EP-2004188-A4 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2009-04-22 EP disclosed
EP-2004188-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-24 EP disclosed
WO-2007117400-A2 BENZOIMIDAZOL-2-YL PYRIDINES AS MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-18 WO disclosed
US-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-04 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 (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-20070232616-A1 Benzoimidazol-2-yl pyridines as modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HDAC8 224/4885VCAM1 942/4885CA1 4425/4885

“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.