SCHEMBL6479992

SCHEMBL6479992

O=c1nc(-c2cccc3c2ccc2ccccc23)c2c(=O)nc(-c3cccc4c3ccc3ccccc34)c1=2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.52
HPRT1 P00492 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 2/20 0.45
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
KMT2A Q03164 1/20 0.45
HIF1A Q16665 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 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
SCHEMBL6480259 0.91 POLB (0.47) PAX8ALDH1A1CYP1A2MEN1HPGD
SCHEMBL2350283 0.88 ALDH1A1 (0.43) PAX8TDP1ALDH1A1CYP1A2CYP2C9
SCHEMBL1720312 0.81 PAX8 (0.45) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL29769915 0.76 HPRT1 (0.78) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL29445992 0.76 HPRT1 (0.78) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL593261 0.76 HPRT1 (0.78) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL30021505 0.74 HPRT1 (0.74) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL30021848 0.74 HPRT1 (0.74) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL442130 0.74 HPRT1 (0.74) PAX8HPRT1TDP1ALDH1A1CYP1A2
SCHEMBL30103588 0.74 HPRT1 (0.74) PAX8HPRT1TDP1ALDH1A1CYP1A2

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-20050008892-A1 Mixture of chromogens; overlapping absorption spectra; coloring high molecualr weight organic material CIBA SPECIALTY CHEMICALS CORP. 2005-01-13 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-20050008892-A1 Mixture of chromogens; overlapping absorption spectra; coloring high molecualr weight organic material TYR, MC1R, MC5R PAX8 1264/4885HPRT1 1081/4885TDP1 740/4885

“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.