SCHEMBL3879633

SCHEMBL3879633

Cc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2c(c1N)c1ccccc1n2C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MYLK Q15746 4/20 0.36
PABPC1 P11940 1/20 0.36
CDK4 P11802 2/20 0.35
PRKACA P17612 2/20 0.35
PRKACG P22612 2/20 0.35
PRKACB P22694 2/20 0.35
CCND1 P24385 2/20 0.35
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
GABRP O00591 3/20 0.32
GABRD O14764 3/20 0.32
GABRA1 P14867 3/20 0.32
GABRB1 P18505 3/20 0.32
GABRG2 P18507 3/20 0.32
GABRB3 P28472 3/20 0.32
GABRA5 P31644 3/20 0.32
GABRA3 P34903 3/20 0.32
GABRA2 P47869 3/20 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
SCHEMBL3882254 0.89 CDK4 (0.41) KDM4EMAPTMYLKPABPC1CDK4
SCHEMBL3873192 0.84 PABPC1 (0.38) KDM4EMAPTMYLKPABPC1CDK4
SCHEMBL3882386 0.82 PABPC1 (0.38) KDM4EMAPTMYLKPABPC1CDK4
SCHEMBL3882537 0.82 KDM4E (0.43) KDM4EMAPTPABPC1CDK4PRKACA
SCHEMBL3876103 0.77 MEN1 (0.36) KDM4EMAPTCDK4CCND1GABRP
SCHEMBL3876130 0.77 MAPT (0.36) MAPTCDK4CCND1GABRPGABRD
SCHEMBL3873730 0.76 ALDH1A1 (0.32) MAPTEGFR
SCHEMBL3874347 0.76 EGFR (0.31) KDM4EMAPTEGFR
SCHEMBL3874922 0.76 KDM4E (0.43) KDM4EMAPTPABPC1CDK4PRKACA
SCHEMBL3873138 0.74 ALDH1A1 (0.32) MAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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 (2 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885MYLK 723/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885MYLK 723/4885

“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.