SCHEMBL4899871

SCHEMBL4899871

CN(C)C=Cc1ccncc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
HTT P42858 4/20 0.39
GAA P10253 2/20 0.39
RAB9A P51151 4/20 0.38
MAPT P10636 7/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
VCP P55072 1/20 0.34
POLB P06746 1/20 0.34
MMP14 P50281 1/20 0.34

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
SCHEMBL4899860 1.00 ALDH1A1 (0.40) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL14205850 0.88 ALDH1A1 (0.38) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL9000517 0.78 ALDH1A1 (0.42) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL8530147 0.77 MAPT (0.56) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL420971 0.77 MAPT (0.56) ALDH1A1HTTRAB9AMAPTNPC1
SCHEMBL29957037 0.76 ALDH1A1 (0.46) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL319184 0.76 ALDH1A1 (0.46) ALDH1A1HTTGAARAB9AMAPT
SCHEMBL12804385 0.75 HASPIN (0.45) ALDH1A1GAARAB9AMAPTKMT2A
SCHEMBL6881715 0.75 HASPIN (0.45) ALDH1A1GAARAB9AMAPTKMT2A
SCHEMBL26690214 0.74 MAPT (0.36) ALDH1A1HTTGAARAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100384852-C Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2008-04-30 CN disclosed
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-7276517-B2 Heterocyclic amide derivatives as inhibitors of glycogen phosphorylase ASTRAZENECA AB (SE) 2007-10-02 US disclosed
US-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans ASTRAZENECA AB (SE) 2007-02-22 US disclosed
US-7129249-B2 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2006-10-31 US disclosed
CN-1653070-A Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-08-10 CN disclosed
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase ASTRAZENECA AB (SE) 2005-06-16 US disclosed
WO-2005020987-A1 HETEROCYCLIC AMIDE DERIVATIVES WHICH POSSES GLYCOGEN PHOSPHORYLASE INHIBITORY ACTIVITY ASTRAZENECA AB (SE) 2005-03-10 WO disclosed
EP-0668279-B1 6-Azaindole thromboxane synthase inhibitors LILLY CO ELI (US) 2001-06-13 EP disclosed
US-5468757-A FOR TREATING STROKE OR MYOCARDIAL INFARCTION IN HUMANS ELI LILLY AND COMPANY (US) 1995-11-21 US disclosed
EP-0668279-A2 6-Azaindole thromboxane synthase inhibitors ELI LILLY AND COMPANY (US) 1995-08-23 EP 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-20070043069-A1 3-Amino-3,4-dihydro-1,5-naphthyridin-2(1H)-one and its dihydrochloride; intermediates for producing naphthyridinylaminocarbonyl-substituted pyrrolothiopyrans and imidazolothiopyrans PYGL, PYGM, GYS1 ALDH1A1 2521/4885HTT 356/4885GAA 96/4885
US-20050131015-A1 Heterocyclic amide derivatives as inhibitors of glycogen phoshorylase PYGL, GYS2, GYS1 ALDH1A1 3200/4885HTT 565/4885GAA 59/4885
US-20080009512-A1 Tetrahydroquinolones and Aza-Analogues Thereof for Use as Dpp-IV Inhibitors in the Treatment of Diabetes DPP4, DPP8, DPP3 ALDH1A1 418/4885HTT 2723/4885GAA 2573/4885

“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.