SCHEMBL6080065

SCHEMBL6080065

O=C(O)CC1Nc2c(O)cccc2NC1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.50
KDM4E B2RXH2 10/20 0.50
MAPT P10636 8/20 0.50
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
RAB9A P51151 2/20 0.50
ALOX15 P16050 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 6/20 0.47
POLB P06746 3/20 0.47
BLM P54132 2/20 0.47
GAA P10253 10/20 0.45
LMNA P02545 1/20 0.44
PLEC Q15149 1/20 0.44
GLA P06280 1/20 0.43
TAAR1 Q96RJ0 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
SCHEMBL4425365 0.80 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4420851 0.80 ALDH1A1 (0.74) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL3338745 0.76 HSD17B10 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL29437021 0.76 HSD17B10 (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17444761 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL14454673 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL12749391 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13802606 0.73 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL7651400 0.73 EGFR (0.44) KDM4EMAPTMEN1KMT2AALOX15
SCHEMBL337478 0.68 GAA (0.56) ALDH1A1KDM4EMAPTMEN1KMT2A

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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 (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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL ALDH1A1 2726/4885KDM4E 1006/4885MAPT 1575/4885

“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.