SCHEMBL9899863

SCHEMBL9899863

NC(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.44
CASP1 P29466 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 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
SCHEMBL1416240 0.85 ALDH1A1 (0.59) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL3126288 0.85 TSHR (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
Hydrochloric Acid SCHEMBL9898760 0.83 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
Formaldehyde SCHEMBL27932456 0.82 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL8066780 0.81 ALDH1A1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL7531924 0.80 TSHR (0.60) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR
SCHEMBL28819003 0.80 COMT (0.46) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL10587956 0.80 TSHR (0.41) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL9871073 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19KMT2A
SCHEMBL9870125 0.78 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6CYP2C19TSHR

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
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-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
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 112/4885CYP1A2 43/4885CYP2D6 61/4885

“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.