SCHEMBL1725906

SCHEMBL1725906

CNc1cc(NC(=O)O)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.50
HTT P42858 2/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
CDC25B P30305 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APP P05067 1/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNMA1 Q12791 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL1725910 1.00 HCAR3 (0.50) HCAR3HTTALDH1A1MAPTCDC25B
SCHEMBL13100021 0.87 HTT (0.47) HCAR3HTTALDH1A1MAPTCDC25B
SCHEMBL6609242 0.82 MEN1 (0.47) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL28754179 0.81 MAPT (0.49) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL1725197 0.81 ALDH1A1 (0.42) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL932509 0.80 MAPT (0.49) HCAR3HTTALDH1A1MAPTCDC25B
SCHEMBL11821440 0.79 HCAR3 (0.45) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL5606205 0.78 MAPT (0.49) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL27615843 0.78 MAPT (0.44) HCAR3HTTALDH1A1MAPTMEN1
SCHEMBL9898957 0.77 HCAR3 (0.55) HCAR3HTTALDH1A1MAPTCDC25B

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-8921405-B2 Compounds OREXO AB (SE) 2014-12-30 US disclosed
EP-2403852-B1 2-AMINOBENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INT (DE) 2014-10-29 EP disclosed
US-20130303571-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-14 US disclosed
US-20120196897-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 US disclosed
EP-2403852-A1 3H-IMIDAZO [4, 5 -C]PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2012-01-11 EP disclosed
US-20100256188-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-07 US disclosed
WO-2010100249-A1 3H-IMIDAZO [4, 5 -C] PYRIDINE- 6 -CARBOXAMIDES AS ANTI- INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-10 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 (3 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-20120196897-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885HTT 3771/4885ALDH1A1 1761/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885HTT 3771/4885ALDH1A1 1761/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885HTT 3771/4885ALDH1A1 1761/4885

“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.