SCHEMBL584339

SCHEMBL584339

N#Cc1cc2c(cc1C=O)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MAPT P10636 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPSR1 Q6W5P4 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
IGF1R P08069 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ERN1 O75460 1/20 0.35

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
SCHEMBL22686756 0.81 LMNA (0.50) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL14970263 0.81 MAPT (0.36) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL16414145 0.80 ALDH1A1 (0.35) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL16414146 0.80 ALDH1A1 (0.35) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL14070022 0.80 LMNA (0.64) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL17182760 0.78 AR (0.46) ALDH1A1TDP1HSD17B10MAPTNPC1
SCHEMBL17182761 0.78 AR (0.46) ALDH1A1TDP1HSD17B10MAPTNPC1
SCHEMBL10578445 0.77 TDP1 (0.35) LMNAALDH1A1TDP1KMT2AKDM4E
SCHEMBL30657003 0.76 LMNA (0.49) HPGDLMNAALDH1A1TDP1HSD17B10
SCHEMBL915300 0.76 LMNA (0.49) HPGDLMNAALDH1A1TDP1HSD17B10

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
CN-110627720-A Synthesis method of 1-amino polysubstituted isoquinoline compound 兰州大学 2019-12-31 CN disclosed
US-20120077989-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2012-03-29 US disclosed
EP-2416879-A1 CYCLIC IMIDATE LIGANDS Universiteit Gent (BE) 2012-02-15 EP disclosed
WO-2010115903-A1 CYCLIC IMIDATE LIGANDS UNIVERSITEIT GENT (BE) 2010-10-14 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-20120077989-A1 CYCLIC IMIDATE LIGANDS IDH2, CYCS, NAPRT HPGD 602/4885LMNA 4604/4885ALDH1A1 4283/4885

“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.