SCHEMBL2954425

SCHEMBL2954425

Cc1ccc(C#N)[n+]([O-])c1C

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
HDAC8 Q9BY41 2/20 0.33
ALDH1A1 P00352 1/20 0.30
CYP2A6 P11509 1/20 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
SCHEMBL14152645 0.74 CHRNA1 (0.33)
SCHEMBL8270010 0.70 HDAC8 (0.42) TSHRHDAC8ALDH1A1CYP2A6
SCHEMBL14620483 0.69 KDM4E (0.41) TSHRALDH1A1
SCHEMBL757601 0.67 CYP2A6 (0.37) ALDH1A1CYP2A6
SCHEMBL1258156 0.67 ADORA2B (0.36) ALDH1A1
SCHEMBL2955010 0.65 TSHR (0.37) TSHRHDAC8ALDH1A1CYP2A6
SCHEMBL2972610 0.65 ALDH1A1 (0.39) HDAC8ALDH1A1CYP2A6
SCHEMBL29560364 0.65 TSHR (0.37) TSHRHDAC8ALDH1A1CYP2A6
SCHEMBL11689845 0.60 TSHR (0.40) TSHRHDAC8ALDH1A1
SCHEMBL8886457 0.60 HDAC8 (0.36) HDAC8ALDH1A1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7759369-B2 Pyridine compounds for the treatment of prostaglandin mediated diseases GLAXO GROUP LIMITED (GB) 2010-07-20 US disclosed
US-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases GLAXO GROUP LIMITED (GB) 2010-06-03 US disclosed
EP-2053042-A1 Pyridine compounds for the treatment of prostaglandin mediated diseases Glaxo Group Limited (GB) 2009-04-29 EP disclosed
EP-1833795-B1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LTD (GB) 2009-03-04 EP disclosed
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases MARTIN PAUL GIBLIN GERARD 2008-10-09 US disclosed
EP-1833795-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2007-09-19 EP disclosed
WO-2006066968-A1 PYRIDINE COMPOUNDS FOR THE TREATMENT OF PROSTAGLANDIN MEDIATED DISEASES GLAXO GROUP LIMITED (GB) 2006-06-29 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 (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-20100137378-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER2 TSHR 167/4885HDAC8 3312/4885ALDH1A1 2043/4885
US-20080249138-A1 Pyridine Compounds For The Treatment Of Prostaglandin Mediated Diseases PTGER1, PTGDR, PTGER4 TSHR 353/4885HDAC8 3400/4885ALDH1A1 1882/4885

“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.