SCHEMBL5728690

SCHEMBL5728690

Cc1cc(Nc2ccc(CCO)cc2)nc(Nc2ccc(CCO)cc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 6/20 0.49
HPGD P15428 4/20 0.49
HSD17B10 Q99714 4/20 0.49
GAA P10253 2/20 0.49
AURKA O14965 2/20 0.48
TSHR P16473 2/20 0.44
CDK1 P06493 4/20 0.44
KDR P35968 4/20 0.44
PDE4B Q07343 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
RPS27 P42677 1/20 0.39
MAPK8 P45983 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL5959201 0.84 HPGD (0.56) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29785471 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13758163 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL12422905 0.80 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL1497998 0.80 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL10977375 0.78 AURKA (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL1498006 0.78 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL20528629 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAAURKA
SCHEMBL29785489 0.76 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL29785582 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030229-B2 Anthraquinone-azo dyes CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-04-18 US disclosed
EP-1509573-B1 ANTHRAQUINONE-AZO DYES CIBA SC HOLDING AG (CH) 2006-01-11 EP disclosed
US-20050182247-A1 Anthraquinone-azo dyes CIBA SPECIALTY CHEMICALS CORP. 2005-08-18 US disclosed
EP-1509573-A1 ANTHRAQUINONE-AZO DYES Ciba SC Holding AG (CH) 2005-03-02 EP disclosed
WO-2003102083-A1 ANTHRAQUINONE-AZO DYES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-12-11 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-20050182247-A1 Anthraquinone-azo dyes CHD8, CHD9, CBX8 ALDH1A1 2591/4885KDM4E 2516/4885HPGD 2174/4885

“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.