SCHEMBL9899780

SCHEMBL9899780

Nc1nc(N2CCC(F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
PTGES O14684 11/20 0.39
POLB P06746 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL9899775 1.00 ALDH1A1 (0.40) ALDH1A1PTGESPOLBSCN10A
SCHEMBL14211217 0.89 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL14118420 0.87 PTGES (0.40) ALDH1A1PTGESPOLB
SCHEMBL9942033 0.87 PTGES (0.40) ALDH1A1PTGESPOLB
SCHEMBL9899704 0.86 PTGES (0.41) PTGESSCN10A
SCHEMBL16882989 0.86 PTGES (0.41) PTGESSCN10A
SCHEMBL9899702 0.86 PTGES (0.41) PTGESSCN10A
SCHEMBL14211259 0.83 ALDH1A1 (0.40) ALDH1A1POLB
SCHEMBL9899695 0.83 ALDH1A1 (0.40) ALDH1A1PTGESPOLB
SCHEMBL9942031 0.83 ALDH1A1 (0.40) ALDH1A1PTGESPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649071-B1 Imidazo(4,5-b)pyridine-6-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-07-08 EP disclosed
EP-2649071-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2013-10-16 EP disclosed
US-8486968-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-16 US disclosed
US-20120309755-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-06 US disclosed
WO-2012076674-A1 IMIDAZO(4,5-B)PYRIDINE-6-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120309755-A1 NOVEL COMPOUNDS PTGER1, PTGS1, PTGES ALDH1A1 112/4885PTGES 3/4885POLB 2270/4885

“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.