SCHEMBL845130

SCHEMBL845130

OC(c1ccncc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
SIRT2 Q8IXJ6 9/20 0.37
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ENPP2 Q13822 1/20 0.34
CYP19A1 P11511 3/20 0.33
CYP17A1 P05093 2/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
KCNN4 O15554 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
TRPM2 O94759 1/20 0.33

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
SCHEMBL2202154 0.91 CYP11B1 (0.40) CYP11B1CYP11B2SIRT2SMN1; SMN2KDM4E
SCHEMBL5688715 0.85 SIRT2 (0.40) CYP11B1CYP11B2SIRT2ENPP2CYP19A1
SCHEMBL2787652 0.82 CYP19A1 (0.36) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL2787655 0.82 CYP19A1 (0.36) CYP11B1CYP11B2CYP19A1CYP3A4MEN1
SCHEMBL21636129 0.79 SIRT2 (0.35) CYP11B1CYP11B2SIRT2ENPP2CYP19A1
SCHEMBL7668744 0.79 SIRT2 (0.37) CYP11B1CYP11B2SIRT2LMNAACHE
SCHEMBL1039275 0.78 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL12887208 0.77 CYP11B1 (0.41) CYP11B1CYP11B2SIRT2ENPP2KMT2A
SCHEMBL17651947 0.77 SIRT2 (0.36) CYP11B1CYP11B2SIRT2ENPP2
SCHEMBL3789168 0.76 CYP11B1 (0.36) CYP11B1CYP11B2SIRT2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102481292-A Novel pharmaceutically acceptable salts of 4- (1H-imidazol-4-ylmethyl) pyridine and their therapeutic applications BIOPROJET SOC CIV 2012-05-30 CN disclosed
US-20120129892-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES BIOPROJET (FR) 2012-05-24 US disclosed
US-20120129892-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES BIOPROJET (FR) 2012-05-24 US disclosed
EP-2432469-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES BIOPROJET (FR) 2012-03-28 EP disclosed
EP-2263672-A1 Novel pharmaceutically acceptable salts of 4-(1H-imidazol-4-ylmethyl)pyridine and their therapeutical uses BIOPROJET (FR) 2010-12-22 EP disclosed
EP-2263672-A1 Novel pharmaceutically acceptable salts of 4-(1H-imidazol-4-ylmethyl)pyridine and their therapeutical uses BIOPROJET (FR) 2010-12-22 EP disclosed
WO-2010133598-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES BIOPROJET (FR) 2010-11-25 WO disclosed
WO-2010133598-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES BIOPROJET (FR) 2010-11-25 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 (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-20120129892-A1 NOVEL PHARMACEUTICALLY ACCEPTABLE SALTS OF 4-(1H-IMIDAZOL-4-YLMETHYL)PYRIDINE AND THEIR THERAPEUTICAL USES DPP4, PDE8A, PDE8B CYP11B1 635/4885CYP11B2 359/4885SIRT2 1740/4885

“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.