SCHEMBL1758568

SCHEMBL1758568

COc1cc(OC)n2n[c]nc2n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL1759541 0.81
SCHEMBL2984728 0.69 ALDH1A1 (0.44) MEN1CYP1A2KMT2ASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4392041 0.67 L3MBTL1 (0.33) L3MBTL1MEN1CYP1A2KMT2AALDH1A1
SCHEMBL20079326 0.67 ALDH1A1 (0.36) L3MBTL1MEN1CYP1A2KMT2AKDM4E
SCHEMBL9592932 0.64 CA12 (0.43) MEN1CYP1A2KMT2ALMNASMN1; SMN2
SCHEMBL8107102 0.64 LMNA (0.40) MEN1CYP1A2KMT2ALMNASMN1; SMN2
SCHEMBL15058312 0.63 ALDH1A1 (0.53) CYP1A2KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL7642369 0.60 LMNA (0.35) L3MBTL1MEN1CYP1A2KMT2ALMNA
SCHEMBL7642373 0.60 LMNA (0.35) L3MBTL1MEN1CYP1A2KMT2ALMNA
SCHEMBL11919886 0.58 ALDH1A1 (0.48) L3MBTL1MEN1CYP1A2KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921273-B2 Substituted pyridazines having herbicidal action BASF SE (DE) 2014-12-30 US disclosed
US-8658569-B2 Substituted quinolinones having herbicidal action BASF SE (DE) 2014-02-25 US disclosed
US-20130065760-A1 Substituted Pyridines Having Herbicidal Action BASF SE (DE) 2013-03-14 US disclosed
EP-2350074-B1 SUBSTITUTED PYRIDINES HAVING A HERBICIDAL EFFECT BASF SE (DE) 2013-03-06 EP disclosed
EP-2550270-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550277-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
EP-2550271-A1 SUBSTITUTED PYRIDINES HAVING HERBICIDAL ACTION BASF SE (DE) 2013-01-30 EP disclosed
US-20130012389-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-10 US disclosed
US-20130005576-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-03 US disclosed
US-8338337-B2 Substituted pyridines having a herbicidal effect BASF SE (DE) 2012-12-25 US disclosed
EP-2325170-A1 Substituted quinolinones having herbicidal action BASF SE (DE) 2011-05-25 EP disclosed
WO-2011057989-A1 HETEROCYCLIC COMPOUNDS HAVING HERBICIDAL ACTION BASF SE (DE) 2011-05-19 WO disclosed
WO-2011058036-A1 TRICYCLIC COMPOUNDS HAVING HERBICIDAL ACTION BASF SE (DE) 2011-05-19 WO disclosed
US-20110105329-A1 Substituted Quinolinones Having Herbicidal Action BASF SE (DE) 2011-05-05 US disclosed
WO-2011051212-A1 USE OF HETEROAROMATIC COMPOUNDS AS HERBICIDES BASF SE (DE) 2011-05-05 WO disclosed
WO-2010049270-A1 SUBSTITUTED PYRIDINES HAVING A HERBICIDAL EFFECT BASF SE (DE) 2010-05-06 WO disclosed
WO-2010049269-A1 SUBSTITUTED PYRIDINES HAVING A HERBICIDAL EFFECT BASF SE (DE) 2010-05-06 WO disclosed
EP-1242425-B1 N-(5,7-DIMETHOXY[1,2,4]TRIAZOLO[1,5-a]PYRIMIDIN-2-YL) ARYLSULFONAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES DOW AGROSCIENCES LLC (US) 2004-03-03 EP disclosed
US-6559101-B2 Controlling weeds; agriculture DOW AGROSCIENCES LLC 2003-05-06 US disclosed
US-20020111361-A1 N- (5, 7-dimethoxy [1, 2, 4] triazolo [1, 5-a] pyrimidin-2-yl) arylsulfonamide compounds and their use as herbicides CORTEVA AGRISCIENCE LLC 2002-08-15 US 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 (5 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-20130065760-A1 Substituted Pyridines Having Herbicidal Action PNPO, DDT, CYP4X1 L3MBTL1 4261/4885MEN1 4701/4885CYP1A2 21/4885
US-20130005576-A1 Substituted Pyridazines Having Herbicidal Action PNPO, PLPBP, CYP4Z1 L3MBTL1 4314/4885MEN1 4577/4885CYP1A2 7/4885
US-20020111361-A1 N- (5, 7-dimethoxy [1, 2, 4] triazolo [1, 5-a] pyrimidin-2-yl) arylsulfonamide compounds and their use as herbicides DDT, DDO, DAO L3MBTL1 1647/4885MEN1 4506/4885CYP1A2 1183/4885
US-20130012389-A1 Substituted Pyridazines Having Herbicidal Action PNPO, PLPBP, CYP4Z1 L3MBTL1 4314/4885MEN1 4577/4885CYP1A2 7/4885
US-20110105329-A1 Substituted Quinolinones Having Herbicidal Action DDT, NQO2, CYP1A1 L3MBTL1 2939/4885MEN1 4613/4885CYP1A2 4/4885

“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.