SCHEMBL1338068

SCHEMBL1338068

Nc1cc(C(=O)O)ncc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 6/20 0.42
TSHR P16473 1/20 0.42
COMT P21964 1/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
CASP6 P55212 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
P4HTM Q9NXG6 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
Water SCHEMBL3559493 0.98 LMNA (0.46) LMNAMAPK1TDP1TSHRCOMT
SCHEMBL1336270 0.81 MAPK1 (0.45) LMNAMAPK1ALDH1A1CYP3A4KDM4E
SCHEMBL5252542 0.79 TSHR (0.51) TDP1TSHRCOMTALDH1A1KDM4E
SCHEMBL5252545 0.79 TSHR (0.51) TDP1TSHRCOMTALDH1A1KDM4E
SCHEMBL40587 0.77 MAPT (0.47) LMNAMAPK1ALDH1A1KDM4EMAPT
SCHEMBL31571462 0.77 GPR35 (0.46) LMNAMAPK1TDP1TSHRALDH1A1
SCHEMBL15043886 0.76 TSHR (0.51) LMNAMAPK1TDP1TSHRCOMT
SCHEMBL5252473 0.76 TDP1 (0.48) LMNATDP1TSHRALDH1A1CYP3A4
SCHEMBL27817669 0.76 CYP1A2 (0.42) LMNAMAPK1TDP1TSHRALDH1A1
SCHEMBL14333101 0.76 ALDH1A1 (0.50) LMNATDP1TSHRALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598190-B2 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-03 US disclosed
CN-101203518-B Fluorene derivative, composition containing the same and use thereof AVENTIS PHARMA SA 2013-07-24 CN disclosed
US-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 US disclosed
EP-2361252-A1 3H-IMIDAZO [4, 5-C]PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-08-31 EP disclosed
CN-102164922-A 3H-imidazo [4,5-C ] pyridine-6-carboxamides as anti-inflammatory agents BOEHRINGER INGELHEIM INT 2011-08-24 CN disclosed
WO-2010034798-A1 3H-IMIDAZO [4, 5-C] PYRIDINE-6-CARBOXAMIDES AS ANTI -INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-7674795-B2 Fluorene derivatives, composition containing said derivatives and the use thereof AVENTIS PHARMA SA (FR) 2010-03-09 US disclosed
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof AVENTIS PHARMA S.A. (FR) 2008-06-26 US disclosed
CN-101203518-A Novel fluorene derivatives, compositions containing same and uses thereof AVENTIS PHARMA SA (FR) 2008-06-18 CN disclosed
US-7256287-B2 Phenyl-aza-benzimidazole compounds for modulating IgE and inhibiting cellular proliferation AVANIR PHARMACEUTICALS (US) 2007-08-14 US 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-20110275656-A1 3H-Imidazo [4, 5-C] Pyridine- 6 -Carboxamides As Anti-Inflammatory Agents MAP4, IL4, MAP7D3 LMNA 2881/4885MAPK1 112/4885TDP1 3237/4885
US-20080153837-A1 Novel Fluorene Derivatives, Composition Containing Said Derivatives and the Use Thereof HSP90B1, HSP90AB1, HSP90AA1 LMNA 3461/4885MAPK1 2092/4885TDP1 891/4885

“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.