SCHEMBL5894271

SCHEMBL5894271

Nc1ccc(O)c2c1[n+]([O-])cc[n+]2[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
EP300 Q09472 2/20 0.40
KAT2B Q92831 2/20 0.40
KAT8 Q9H7Z6 2/20 0.40
HDAC3 O15379 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
CSNK2A1 P68400 1/20 0.34
CSNK2A3 Q8NEV1 1/20 0.34
GAA P10253 3/20 0.34
THRB P10828 1/20 0.34
HSD17B10 Q99714 4/20 0.33
ALOX15 P16050 4/20 0.33
HSP90AA1 P07900 2/20 0.33
CYP3A4 P08684 1/20 0.33
HSP90AB1 P08238 1/20 0.33
PSMB5 P28074 1/20 0.33
MAPT P10636 3/20 0.32
CA12 O43570 1/20 0.32

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
SCHEMBL5894179 0.86 ALDH1A1 (0.30) HSD17B10CYP3A4ALDH1A1HPGDTSHR
SCHEMBL5894626 0.78 IDO1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894663 0.78 IDO1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894499 0.74 HSP90AA1 (0.50) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894224 0.74 HSP90AA1 (0.46) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894462 0.71 PRKCI (0.38) IDO1GAAMAPTALDH1A1KDM4E
SCHEMBL5894694 0.69 KMT2A (0.39) THRBMAPTALDH1A1TSHRKDM4E
SCHEMBL5894153 0.68 EP300 (0.39) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894130 0.68 EP300 (0.39) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL5894767 0.67 NSD2 (0.43) ALDH1A1

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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 US claimed
US-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-07-20 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-20060156485-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, TUBB6, DNMT1 IDO1 1240/4885EP300 2487/4885KAT2B 299/4885

“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.