SCHEMBL1698244

SCHEMBL1698244

CNOC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
LMNA P02545 2/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
PKM P14618 4/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.46
GSK3B P49841 1/20 0.46
HPGD P15428 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL30679670 1.00 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTPOLBCES2
SCHEMBL29576494 0.82 KDM4E (0.68) ALDH1A1KDM4EMAPTPOLBCES2
SCHEMBL247011 0.82 KDM4E (0.68) ALDH1A1KDM4EMAPTPOLBCES2
SCHEMBL30166417 0.82 KDM4E (0.68) ALDH1A1KDM4EMAPTPOLBCES2
SCHEMBL22288256 0.81 CES2 (0.53) ALDH1A1KDM4EMAPTPOLBCES2
Hydrochloric Acid SCHEMBL4430906 0.81 KDM4E (0.66) ALDH1A1KDM4EMAPTPOLBCES2
Hydrochloric Acid SCHEMBL30827488 0.81 KDM4E (0.66) ALDH1A1KDM4EMAPTPOLBCES2
Hydrochloric Acid SCHEMBL9500180 0.81 KDM4E (0.66) ALDH1A1KDM4EMAPTPOLBCES2
Hydrochloric Acid SCHEMBL30779106 0.81 KDM4E (0.66) ALDH1A1KDM4EMAPTPOLBCES2
Hydrochloric Acid SCHEMBL27837788 0.81 KDM4E (0.66) ALDH1A1KDM4EMAPTPOLBCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130157862-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2013-06-20 US claimed
EP-2582240-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION Nufarm Australia Limited (AU) 2013-04-24 EP claimed
WO-2011160162-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2011-12-29 WO claimed
CN-116406360-A Heterocyclic GLP-1 agonists 加舒布鲁姆生物公司 2023-07-07 CN disclosed
CN-110891949-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2023-05-23 CN disclosed
CN-110891949-A Pesticidally active heterocyclic derivatives with sulphur containing substituents 先正达参股股份有限公司 2020-03-17 CN disclosed
US-9137993-B2 Herbicidal picolinic acid salt composition NUFARM AUSTRALIA LIMITED (AU) 2015-09-22 US disclosed
US-20150031538-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2015-01-29 US disclosed
US-8865625-B2 Herbicidal picolinic acid salt composition NUFARM AUSTRALIA LIMITED (AU) 2014-10-21 US disclosed
US-20130157862-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2013-06-20 US disclosed
EP-2582240-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION Nufarm Australia Limited (AU) 2013-04-24 EP disclosed
WO-2011160162-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION NUFARM AUSTRALIA LIMITED (AU) 2011-12-29 WO disclosed
US-5187167-A Antitumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
EP-0239362-B1 ANTI-TUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-04 EP disclosed
EP-0239362-A2 Anti-tumor agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-09-30 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 (2 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-20130157862-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION MTX2, DDT, MTX1 ALDH1A1 2315/4885KDM4E 2274/4885MAPT 2918/4885
US-20150031538-A1 HERBICIDAL PICOLINIC ACID SALT COMPOSITION MTX2, DDT, MTX1 ALDH1A1 2315/4885KDM4E 2274/4885MAPT 2918/4885

“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.