SCHEMBL2636713

SCHEMBL2636713

COc1ccc(COc2nccnc2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
NPC1 O15118 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 1/20 0.52
ASPH Q12797 1/20 0.52
KDM8 Q8N371 1/20 0.52
FFAR1 O14842 4/20 0.51
PLA2G4B P0C869 1/20 0.51
KDM5A P29375 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM5B Q9UGL1 1/20 0.47
HTT P42858 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ALKBH1 Q13686 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL871874 0.87 HTT (0.49) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL2636714 0.82 NPC1 (0.54) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL784516 0.80 RAB9A (0.62) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL10530981 0.79 RAB9A (0.54) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL2636206 0.78 HTT (0.49) RAB9ASMN1; SMN2NPC1POLBFFAR1
SCHEMBL20399613 0.77 RAB9A (0.51) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL4152950 0.76 RAB9A (0.50) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL13412435 0.75 SMN1; SMN2 (0.53) RAB9ASMN1; SMN2NPC1POLBALDH1A1
SCHEMBL1111686 0.75 MAPT (0.47) POLBKDM4EASPHKDM8ALDH1A1
SCHEMBL30592770 0.75 MAPT (0.47) POLBKDM4EASPHKDM8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012389-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-10 US disclosed
US-20130012389-A1 Substituted Pyridazines Having Herbicidal Action BASF SE (DE) 2013-01-10 US disclosed
EP-2438071-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2012-04-11 EP disclosed
WO-2011117211-A1 SUBSTITUTED PYRIDAZINES HAVING HERBICIDAL ACTION BASF SE (DE) 2011-09-29 WO disclosed
WO-2010139657-A1 SUBSTITUTED PYRAZINE (THIO)PYRANS WITH A HERBICIDAL ACTION BASF SE (DE) 2010-12-09 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-20130012389-A1 Substituted Pyridazines Having Herbicidal Action PNPO, PLPBP, CYP4Z1 RAB9A 3970/4885SMN1; SMN2 3470/4885NPC1 4719/4885

“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.