SCHEMBL3934740

SCHEMBL3934740

Cc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPK1 P28482 3/20 0.50
HTT P42858 1/20 0.50
GPR35 Q9HC97 3/20 0.47
MAPT P10636 3/20 0.44
LMNA P02545 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 3/20 0.43
HPGD P15428 2/20 0.41
HIF1A Q16665 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
TTR P02766 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 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
SCHEMBL29606539 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1HTTGPR35TSHR
SCHEMBL3942261 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1HTTGPR35TSHR
SCHEMBL761929 0.82 SMN1; SMN2 (0.57) ALDH1A1GPR35MAPTLMNASMN1; SMN2
Ammonia Solution, Strong SCHEMBL27652614 0.80 ALDH1A1 (0.48) ALDH1A1MAPK1HTTGPR35TSHR
SCHEMBL8078061 0.79 ALDH1A1 (0.53) ALDH1A1MAPK1HTTGPR35MAPT
SCHEMBL742711 0.78 CYP1A2 (0.43) ALDH1A1GPR35MAPTLMNASMN1; SMN2
SCHEMBL5626986 0.78 POLB (0.42) ALDH1A1MAPK1GPR35MAPTAHR
SCHEMBL5623763 0.78 TSHR (0.52) ALDH1A1MAPK1HTTGPR35MAPT
SCHEMBL7878609 0.78 SMN1; SMN2 (0.39) ALDH1A1HTTGPR35MAPTLMNA
SCHEMBL13223069 0.78 SMN1; SMN2 (0.39) ALDH1A1HTTGPR35MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107162960-B The synthetic method of 2- pyridinemethanol 安徽星宇化工有限公司 2019-10-22 CN claimed
CN-107162960-A The synthetic method of 2 pyridinemethanols 安徽星宇化工有限公司 2017-09-15 CN claimed
CN-107162960-B The synthetic method of 2- pyridinemethanol 安徽星宇化工有限公司 2019-10-22 CN disclosed
CN-107162960-B The synthetic method of 2- pyridinemethanol 安徽星宇化工有限公司 2019-10-22 CN disclosed
CN-107162960-A The synthetic method of 2 pyridinemethanols 安徽星宇化工有限公司 2017-09-15 CN disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 US disclosed
WO-2017064675-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH, INC. (US) 2017-04-20 WO disclosed
US-8026370-B2 Peroxisome proliferator antagonist; hyperlipemia agents; arteriosclerosis; antiischemic agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-09-27 US disclosed
EP-1831198-B1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2009-04-08 EP disclosed
EP-1831198-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS AstraZeneca AB (SE) 2007-09-12 EP disclosed
EP-1816128-A1 CARBOXYLIC ACID DERIVATIVE CONTAINING THIAZOLE RING AND PHARMACEUTICAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2007-08-08 EP disclosed
WO-2006067445-A2 CSF-1R KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-06-29 WO disclosed
WO-2006067446-A1 PYRIDINE CARBOXAMIDE DERIVATIVES FOR USE AS ANTICANCER AGENTS ASTRAZENECA AB (SE) 2006-06-29 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-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ALDH1A1 143/4885MAPK1 3564/4885HTT 1479/4885

“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.