SCHEMBL113740

SCHEMBL113740

CCn1c(=O)c(-c2ccccc2C)c(O)c2nn(C)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.42
▸ RCE1 Q9Y256 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ LYN P07948 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ CNR1 P21554 2/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CASR P41180 2/20 0.38
▸ GAA P10253 2/20 0.37
▸ PTGES O14684 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL114971 0.86 PDE10A (0.35) ALDH1A1CNR1CNR2CASRBRD4
SCHEMBL116012 0.86 ADORA3 (0.36) KDM4ESMN1; SMN2CNR1CNR2CASR
SCHEMBL115108 0.86 METAP2 (0.43) METAP2
SCHEMBL115124 0.86 LMNA (0.40) KDM4EALDH1A1SMN1; SMN2GAAMAPT
SCHEMBL115176 0.80 KDM4E (0.42) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115102 0.77 HPGD (0.50) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115070 0.75 KDM4E (0.37) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115304 0.75 KDM4E (0.37) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115072 0.74 KDM4E (0.36) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD
SCHEMBL115096 0.74 KDM4E (0.36) KDM4ERCE1ALDH1A1SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES BAYER CROPSCIENCE AG (DE) 2012-03-08 — — 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 (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-20120058893-A1 HERBICIDALLY ACTIVE KETOSULTAMS AND DIKETOPYRIDINES KHK, KCNA1, KCNA2 KDM4E 525/4885RCE1 3502/4885ALDH1A1 274/4885

“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.

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