SCHEMBL1313328

SCHEMBL1313328

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.46
GRIA2 P42262 2/20 0.46
GRIA3 P42263 2/20 0.46
GRIA4 P48058 2/20 0.46
GRM6 O15303 1/20 0.46
MAPT P10636 5/20 0.45
CYP2C9 P11712 2/20 0.45
POLB P06746 2/20 0.45
HPGD P15428 1/20 0.45
APEX1 P27695 1/20 0.45
BLM P54132 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
VCAM1 P19320 2/20 0.41
CTSB P07858 2/20 0.41
GPR35 Q9HC97 2/20 0.41
CYP1A2 P05177 2/20 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
SCHEMBL1200398 0.82 VCAM1 (0.50) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL17164570 0.78 GPR35 (0.44) MAPTTDP1ALDH1A1HTTMEN1
SCHEMBL1558145 0.78 GPR35 (0.47) MAPTPOLBHPGDTDP1ALDH1A1
SCHEMBL1200517 0.76 GPR35 (0.46) POLBALDH1A1CTSBGPR35CYP1A2
SCHEMBL14250156 0.76 MEN1 (0.45) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL1314227 0.75 GLA (0.43) GRIA1GRIA2GRIA3GRIA4GRM6
SCHEMBL12913220 0.75 GPR35 (0.44) MAPTPOLBTDP1ALDH1A1HTT
SCHEMBL14183028 0.73 GPR35 (0.43) CYP2C9POLBALDH1A1HTTCTSB
SCHEMBL2176229 0.73 KDM4E (0.40) CYP2C9ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL29904870 0.73 KDM4E (0.40) CYP2C9ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-8809538-B2 Piperidine-containing compounds and use thereof ARRAY BIOPHARMA INC. (US) 2014-08-19 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
US-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF ARRAY BIOPHARMA INC. (US) 2011-11-10 US disclosed
EP-2375899-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF Array Biopharma, Inc. (US) 2011-10-19 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110275608-A1 PIPERIDINE-CONTAINING COMPOUNDS AND USE THEREOF NOS1, NOS2, ASS1 GRIA1 1537/4885GRIA2 3187/4885GRIA3 2644/4885

“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.