SCHEMBL2076868

SCHEMBL2076868

Cn1nc(-c2ccccc2)c(CCl)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
ALDH1A1 P00352 1/20 0.61
MAPT P10636 5/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.57
RECQL P46063 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.49
MPO P05164 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
BRCA1 P38398 1/20 0.41

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
SCHEMBL14191068 0.86 NPSR1 (0.66) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL2077156 0.85 TDP1 (0.64) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL2077501 0.83 TDP1 (0.48) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL2079138 0.83 TDP1 (0.48) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL12775563 0.82 NPSR1 (0.61) NPSR1TDP1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL2079527 0.82 TDP1 (0.47) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL3809599 0.80 NPSR1 (0.58) NPSR1TDP1ALDH1A1MAPTLMNA
Hydrochloric Acid SCHEMBL2076111 0.79 NPSR1 (0.57) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL11729543 0.78 NPC1 (0.60) NPSR1TDP1ALDH1A1MAPTLMNA
SCHEMBL266137 0.77 RECQL (0.58) NPSR1TDP1ALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-8329727-B2 Imidazo[4,5-c]pyridine compounds and methods of antiviral treatment GILEAD SCIENCES, INC. (US) 2012-12-11 US disclosed
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7790730-B2 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2010-09-07 US disclosed
US-7659298-B2 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethylsulphanyl)-N-quinolin-3-ylbenzamide; 2-(3-Phenyl-5-chloro-1-methyl-1H-pyrazol-4-ylmethoxy)-N-naphthalin-2-ylbenzamide; obesity, including obesity of the non-insuline-dependent diabetes patients, sleeping disorders, stroke, nausea and vomiting SANOFI-AVENTIS (FR) 2010-02-09 US disclosed
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-02-04 US disclosed
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-02-04 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-7648998-B2 5-((3-(4-chlorophenyl)isoxazol-5-yl)methyl)-2-(2-fluorophenyl)-5H-imidazo[4,5-c]pyridine; hepatitis-C-virus K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) 2010-01-19 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation GILEAD SCIENCES, INC. (US) 2009-08-20 US disclosed
EP-1699454-B1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI AVENTIS (FR) 2009-08-05 EP disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2007-10-18 US disclosed
US-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2007-01-25 US disclosed
EP-1699454-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS Sanofi-Aventis (FR) 2006-09-13 EP disclosed
WO-2005060959-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2005-07-07 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 (5 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-20070021459-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NPSR1 8/4885TDP1 4727/4885ALDH1A1 2239/4885
US-20100028301-A1 IMIDAZO[4,5-c]PYRIDINE COMPOUNDS AND METHODS OF ANTIVIRAL TREATMENT CYP3A5, TPMT, ZC3HAV1 NPSR1 3275/4885TDP1 1624/4885ALDH1A1 490/4885
US-20070244148-A1 Imidazo 4,5-C Pyridine Compounds and Methods of Antiviral Treatment ZC3HAV1, TPMT, DPP4 NPSR1 3363/4885TDP1 2241/4885ALDH1A1 1580/4885
US-20090208456-A1 Imidazo[4,5-d]pyrimidines, their uses and methods of preparation TYMP, DPYD, TYMS NPSR1 3308/4885TDP1 632/4885ALDH1A1 650/4885
US-20110059964-A1 PYRAZOLE DERIVATIVES AND USE THEREOF AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPY1R NPSR1 8/4885TDP1 4727/4885ALDH1A1 2239/4885

“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.