SCHEMBL1725909

SCHEMBL1725909

CNc1cc(N(Cl)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.48
MAPT P10636 9/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CDC25B P30305 1/20 0.41
TSHR P16473 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
CASP6 P55212 1/20 0.37
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 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
SCHEMBL1725199 0.82 MAPT (0.40) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL2248642 0.74 HCAR3 (0.77) HCAR3KMT2ACDC25BTSHRCASP6
SCHEMBL12286368 0.73 ALDH1A1 (0.52) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL487351 0.72 MAPK1 (0.58) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL4071863 0.72 NPSR1 (0.55) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL27111058 0.71 HCAR3 (0.58) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL19926298 0.71 HCAR3 (0.50) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL22118189 0.70 NPSR1 (0.54) HCAR3MAPTKMT2AALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL28214253 0.70 NPSR1 (0.54) HCAR3MAPTKMT2AALDH1A1CYP1A2
SCHEMBL2250519 0.70 HCAR3 (0.56) HCAR3MAPTKMT2AALDH1A1CYP1A2

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 146/4885MAPT 4403/4885KMT2A 3186/4885
US-20130303571-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885MAPT 4403/4885KMT2A 3186/4885
US-20100256188-A1 NEW COMPOUNDS MTX1, LTB4R, RDX HCAR3 146/4885MAPT 4403/4885KMT2A 3186/4885

“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.