SCHEMBL20799493

SCHEMBL20799493

COC(=O)c1cnc2cc3c(cc2c1C)OCO3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.65
LMNA P02545 10/20 0.65
HTT P42858 6/20 0.65
NPSR1 Q6W5P4 3/20 0.65
HPGD P15428 10/20 0.60
KDM4E B2RXH2 9/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 6/20 0.59
MAPT P10636 3/20 0.59
TP53 P04637 3/20 0.45
GAA P10253 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL20799490 0.87 LMNA (0.60) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL11790568 0.85 ALDH1A1 (0.55) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL242405 0.75 ALDH1A1 (0.50) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL11792492 0.74 ALDH1A1 (0.49) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL5929729 0.74 ALDH1A1 (0.52) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL7377635 0.74 KDM4E (0.61) ALDH1A1NPSR1HPGDKDM4EATM
SCHEMBL20799483 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL11711177 0.73 ALDH1A1 (0.50) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL13993573 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHTTNPSR1HPGD
SCHEMBL241594 0.71 ALDH1A1 (0.48) ALDH1A1LMNAHTTNPSR1HPGD

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-10227355-B2 Quinoline derivatives and preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-03-12 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-10227355-B2 Quinoline derivatives and preparation thereof ABL1, FLT3, MAP3K7 ALDH1A1 2096/4885LMNA 2995/4885HTT 3639/4885

“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.