SCHEMBL1969712

SCHEMBL1969712

C=CC(N)n1c(=O)c(CCCCC)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 2/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TLR8 Q9NR97 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL2831902 0.80 MAOA (0.51) ALDH1A1KDM4EHTTPDE4APDE4B
SCHEMBL28506236 0.76 HDAC6 (0.64) ALDH1A1KDM4EHTTPDE4APDE4B
SCHEMBL28514107 0.75 HDAC6 (0.63) ALDH1A1KDM4EHTTPDE4APDE4B
SCHEMBL7513852 0.72 OGFRL1 (0.43) ALDH1A1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL980794 0.71 ALDH1A1 (0.73) ALDH1A1KDM4EHTTPDE4APDE4B
SCHEMBL8518275 0.67 TLR8 (0.50) ALDH1A1KDM4ETLR8ATMSMN1; SMN2
SCHEMBL27863633 0.65 KCNH2 (0.53) TLR8ATMSMN1; SMN2LMNATSHR
SCHEMBL626394 0.65 KCNH2 (0.53) TLR8ATMSMN1; SMN2LMNATSHR
SCHEMBL27905824 0.65 KCNH2 (0.53) TLR8ATMSMN1; SMN2LMNATSHR
SCHEMBL23652462 0.65 GAA (0.41) ALDH1A1KDM4ETLR8HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE BAYER CROPSCIENCE AG (DE) 2011-06-16 US disclosed
US-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use BAYER CROPSCIENCE GMBH (DE) 2005-11-17 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 (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-20050256000-A1 Quinoxalin-2-one derivatives, compositions which protect useful plants and comprise these derivatives, and processes for their preparation and their use QSOX1, CYC1, CBR3 ALDH1A1 1058/4885KDM4E 2003/4885HTT 1943/4885
US-20110143939-A1 QUINOXALIN-2-ONE DERIVATIVES, COMPOSITIONS WHICH PROTECT USEFUL PLANTS AND COMPRISE THESE DERIVATIVES, AND PROCESSES FOR THEIR PREPARATION AND THEIR USE QSOX1, PRDX2, NQO2 ALDH1A1 1311/4885KDM4E 2076/4885HTT 2698/4885

“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.