SCHEMBL1200398

SCHEMBL1200398

Cc1nc(Cl)c(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.50
CYP2C9 P11712 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIA1 P42261 2/20 0.47
GRIA2 P42262 2/20 0.47
GRIA3 P42263 2/20 0.47
GRIA4 P48058 2/20 0.47
GRM6 O15303 1/20 0.47
MAPT P10636 5/20 0.46
POLB P06746 2/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43

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
SCHEMBL7657637 0.82 KHK (0.54) VCAM1CYP2C9CYP1A2CYP2C19GRIA1
SCHEMBL1313328 0.82 GRIA1 (0.46) VCAM1CYP2C9CYP1A2CYP2C19GRIA1
SCHEMBL20265347 0.77 TSHR (0.42) VCAM1POLBTDP1ALDH1A1CYP3A4
SCHEMBL14683926 0.77 CYP1A2 (0.44) CYP1A2NPSR1MAPTPOLBHPGD
SCHEMBL30515102 0.77 CYP1A2 (0.44) CYP1A2NPSR1MAPTPOLBHPGD
SCHEMBL33526375 0.76 NPSR1 (0.59) CYP2C9CYP1A2CYP2C19NPSR1POLB
SCHEMBL1314227 0.76 GLA (0.43) CYP2C9GRIA1GRIA2GRIA3GRIA4
SCHEMBL1625612 0.75 VCAM1 (0.51) VCAM1CYP2C9CYP1A2GRIA1GRIA2
SCHEMBL1344104 0.75 VCAM1 (0.51) VCAM1CYP2C9CYP1A2CYP2C19GRIA1
SCHEMBL20303775 0.74 NPSR1 (0.57) CYP2C9CYP1A2CYP2C19NPSR1POLB

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS LILLY CO ELI (US) 2026-04-02 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
US-9096525-B2 Iminipyridine derivatives and their uses as microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2015-08-04 US disclosed
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
EP-2375899-B1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF IN THE TREATMENT OF DIABETES ARRAY BIOPHARMA INC (US) 2015-02-25 EP disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2011-02-24 US disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
WO-2010080864-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2010-07-15 WO disclosed
EP-2125734-A2 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-12-02 EP disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors NOVARTIS AG (CH) 2009-09-10 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2008101682-A2 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-08-28 WO disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 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-20110046088-A1 IMINIPYRIDINE DERIVATIVES AND THEIR USES AS MICROBIOCIDES CD14, MYADM, MPO VCAM1 439/4885CYP2C9 168/4885CYP1A2 194/4885
US-20260091048-A1 GIP RECEPTOR AGONIST COMPOUNDS GIPR, GLP1R, GPR119 VCAM1 2532/4885CYP2C9 1804/4885CYP1A2 2194/4885
US-20090227580-A1 Bicyclic derivatives as CETP inhibitors CETP, LCAT, CES1 VCAM1 2876/4885CYP2C9 1006/4885CYP1A2 637/4885

“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.