SCHEMBL6794067

SCHEMBL6794067

CN(C)c1ccc(C=C2N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
DAPK3 O43293 4/20 0.49
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 1/20 0.46
PLCG2 P16885 2/20 0.45
ALOX5 P09917 1/20 0.44
MAPT P10636 4/20 0.44
ADK P55263 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 2/20 0.44
PKM P14618 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43

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
SCHEMBL6794063 1.00 MEN1 (0.50) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL15347299 1.00 MEN1 (0.50) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6792703 0.89 ALDH1A1 (0.48) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6792707 0.89 ALDH1A1 (0.48) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6794799 0.88 ALDH1A1 (0.59) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6794802 0.88 ALDH1A1 (0.59) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6795374 0.85 ALOX5 (0.61) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6795379 0.85 ALOX5 (0.61) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6795727 0.85 ALDH1A1 (0.61) MEN1KMT2ADAPK3NOTUMALDH1A1
SCHEMBL6795730 0.85 ALDH1A1 (0.61) MEN1KMT2ADAPK3NOTUMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 WO claimed
US-20040180943-A1 Oxazolone analogs as amyloid aggregation inhibitors and for the treatment of alzheimer's disease and disorders related to amyloidosis WARNER-LAMBERT COMPANY LLC 2004-09-16 US claimed
US-20130287727-A1 Psyllid Attractants and Their Uses INSCENT, INC. (US) 2013-10-31 US disclosed
WO-2013163454-A2 PSYLLID ATTRACTANTS AND THEIR USES INSCENT, INC. (US) 2013-10-31 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 (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-20130287727-A1 Psyllid Attractants and Their Uses L3MBTL3, LPAR3, LPXN MEN1 4287/4885KMT2A 1612/4885DAPK3 2481/4885
US-20040180943-A1 Oxazolone analogs as amyloid aggregation inhibitors and for the treatment of alzheimer's disease and disorders related to amyloidosis APP, PSEN1, PSEN2 MEN1 2646/4885KMT2A 4782/4885DAPK3 1049/4885

“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.