SCHEMBL13348570

SCHEMBL13348570

CCCCOc1nc(OC)cc2ccc(C#N)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.40
RECQL P46063 1/20 0.38
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
HPGDS O60760 2/20 0.35
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 4/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL13348574 0.82 POLB (0.39) RECQLKDM4EALDH1A1MAPTMEN1
SCHEMBL13348572 0.81 MCHR1 (0.36) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL13348571 0.81 MCHR1 (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL13313412 0.81 SQOR (0.43) NQO1RECQLALDH1A1HTTL3MBTL1
SCHEMBL13348568 0.77 TDP1 (0.40) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13439476 0.77 IDO1 (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL13348681 0.72 DGKZ (0.45) DGKZ
SCHEMBL11040426 0.70 MCHR1 (0.65) KDM4EMAPTMEN1KMT2ANPC1
SCHEMBL23462738 0.69 ALDH1A1 (0.48) KDM4EALDH1A1MAPTHTTHPGD
SCHEMBL11035995 0.67 MCHR1 (0.65) KDM4EALDH1A1MAPTHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS PRANA BIOTECHNOLOGY LIMITED (AU) 2010-06-24 US disclosed
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 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-20100160346-A1 NEUROLOGICALLY ACTIVE COMPOUNDS ACHE, PSEN1, PSEN2 NQO1 65/4885RECQL 2370/4885MAPK8 2901/4885

“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.