SCHEMBL9940339

SCHEMBL9940339

C=CCOCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
NPSR1 Q6W5P4 1/20 0.58
CASP3 P42574 1/20 0.53
POLB P06746 1/20 0.46
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLS O94925 1/20 0.42
PTPRC P08575 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL1626840 0.82 CA12 (0.52) ALDH1A1CASP3CA12CA9GLS
SCHEMBL23812542 0.82 KMT2A (0.54) ALDH1A1NPSR1CASP3POLBMAPT
SCHEMBL12050439 0.80 MAPT (0.53) ALDH1A1NPSR1CASP3POLBGLS
SCHEMBL12253435 0.80 MAPT (0.53) ALDH1A1NPSR1CASP3POLBGLS
SCHEMBL12134370 0.78 TDP1 (0.51) ALDH1A1NPSR1MAPTMEN1KMT2A
SCHEMBL8183019 0.76 ALDH1A1 (0.49) ALDH1A1CA12CA9GLS
Anthraquinone SCHEMBL10663875 0.75 PTPRC (0.56) ALDH1A1NPSR1CASP3POLBPTPRC
SCHEMBL170913 0.75 CASP3 (0.85) ALDH1A1NPSR1CASP3POLBCA12
SCHEMBL31377051 0.75 CASP3 (0.85) ALDH1A1NPSR1CASP3POLBCA12
SCHEMBL28836760 0.75 MGLL (0.43) ALDH1A1NPSR1CASP3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651219-A2 FUNGICIDAL AZOCYCLIC AMIDES E.I. Du Pont De Nemours And Company (US) 2013-10-23 EP disclosed
US-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
WO-2012082580-A2 FUNGICIDAL AZOCYCLIC AMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-21 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-20130261154-A1 FUNGICIDAL AZOCYCLIC AMIDES CYP51A1, Q6ZSR9, NOX1 ALDH1A1 1346/4885NPSR1 3102/4885CASP3 494/4885

“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.