SCHEMBL6480259

SCHEMBL6480259

O=c1nc(-c2cccc3ccccc23)c2c(=O)nc(-c3cccc4ccccc34)c1=2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALPL P05186 1/20 0.44
GAA P10253 1/20 0.44
TYMP P19971 1/20 0.44
PAX8 Q06710 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
BCHE P06276 1/20 0.41
DNMT1 P26358 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2A6 P11509 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL6479992 0.91 PAX8 (0.52) POLBPTPN1PAX8ALDH1A1MAPT
SCHEMBL2350283 0.90 ALDH1A1 (0.43) POLBPTPN1KDM4EALPLGAA
SCHEMBL1720312 0.78 PAX8 (0.45) PAX8ALDH1A1HPGDCYP1A2CYP2A6
SCHEMBL1719328 0.77 CYP1A2 (0.45) DNMT1CYP1A2KMT2A
SCHEMBL31114288 0.75 ALDH1A1 (0.56) POLBPTPN1KDM4EALPLGAA
SCHEMBL10481215 0.73 MAPK1 (0.41) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL15901793 0.72 BCHE (0.57) KDM4EGAAALDH1A1MAPTHPGD
SCHEMBL6341548 0.72 ALDH1A1 (0.57) KDM4EALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL25302086 0.72 ALDH1A1 (0.59) POLBPTPN1KDM4EALPLGAA
SCHEMBL27953 0.72 ALDH1A1 (0.59) POLBPTPN1KDM4EALPLGAA

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 POLB 1866/4885PTPN1 84/4885KDM4E 169/4885

“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.