SCHEMBL4457854

SCHEMBL4457854

CO/N=C(/C(=O)O)c1ccc(COc2ccc(C)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.61
PARP10 Q53GL7 2/20 0.59
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
PTPRC P08575 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
POLB P06746 1/20 0.54
HRH3 Q9Y5N1 2/20 0.53
LMNA P02545 1/20 0.51
RXRA P19793 3/20 0.50
RXRB P28702 3/20 0.50
NR1H4 Q96RI1 1/20 0.48
PLA2G4B P0C869 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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
SCHEMBL1685862 0.88 MAOB (0.59) MAOBPARP10ALDH1A1MAPTMAPK1
SCHEMBL28845769 0.84 TDP1 (0.48) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL16550312 0.79 RXRA (0.76) MAOBPARP10ALDH1A1MAPTMAPK1
SCHEMBL6520330 0.79 RXRA (0.76) MAOBPARP10ALDH1A1MAPTMAPK1
SCHEMBL8622117 0.79 RXRA (0.67) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL8622118 0.79 RXRA (0.67) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL15680330 0.77 SMN1; SMN2 (0.52) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5022336 0.76 HIF1A (0.57) MAOBALDH1A1MAPTPTPRCPTPN1
SCHEMBL8624119 0.76 HIF1A (0.57) MAOBALDH1A1MAPTPTPRCPTPN1
SCHEMBL8954640 0.76 MAOB (0.56) MAOBPARP10ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2864320-A1 PYRAZOLE COMPOUND AND PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2015-04-29 EP disclosed
EP-2750507-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2014-07-09 EP disclosed
WO-2013189801-A1 PYRAZOLE COMPOUND AND PESTICIDAL MIXTURES COMPRISING A PYRAZOLE COMPOUND BASF SE (DE) 2013-12-27 WO disclosed
WO-2013030338-A2 AGRICULTURAL MIXTURES COMPRISING ARYLQUINAZOLINONE COMPOUNDS BASF SE (DE) 2013-03-07 WO disclosed
WO-2009147205-A2 SYNERGISTIC FUNGICIDAL MIXTURES BASF SE (DE) 2009-12-10 WO disclosed
US-20080249113-A1 Fungicidal Mixtures BASF AKITENGESELLSCHAFT (DE) 2008-10-09 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-20080249113-A1 Fungicidal Mixtures ARSA, DDT, AZI2 MAOB 431/4885PARP10 4708/4885ALDH1A1 498/4885

“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.