SCHEMBL3879211

SCHEMBL3879211

Cc1cc(N)c2c(oc3ccccc32)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.53
MAOA P21397 4/20 0.44
KDM4E B2RXH2 5/20 0.41
NQO1 P15559 1/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.40
HPGD P15428 3/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 1/20 0.40
KDM5A P29375 1/20 0.40
LMNA P02545 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
SCHEMBL3874492 0.89 PKM (0.54) PKMMAOAKDM4ENQO1HSD17B10
SCHEMBL3873224 0.84 NQO1 (0.43) PKMMAOAKDM4ENQO1HSD17B10
SCHEMBL3882623 0.78 NQO1 (0.43) PKMMAOAKDM4ENQO1HSD17B10
SCHEMBL3881350 0.75 MAOA (0.48) PKMMAOAKDM4EHSD17B10MEN1
SCHEMBL3880857 0.75 MAOA (0.51) PKMMAOAKDM4EHSD17B10MEN1
SCHEMBL28759359 0.75 PTPN1 (0.44) PKMMAOAKDM4EHSD17B10MEN1
SCHEMBL26346664 0.73 MAOA (0.57) PKMMAOAKDM4EHSD17B10MEN1
SCHEMBL22377031 0.73 KDM4E (0.44) MAOAKDM4ENQO1HSD17B10MEN1
SCHEMBL3874781 0.73 KDM5A (0.60) PKMMAOAKDM4ENQO1HSD17B10
SCHEMBL31277141 0.72 KDM5A (0.49) PKMMAOAKDM4ENQO1HSD17B10

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 PKM 185/4885MAOA 500/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PKM 185/4885MAOA 500/4885KDM4E 1549/4885

“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.