SCHEMBL3875231

SCHEMBL3875231

CCc1cc(N)c2oc3ccccc3c2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
KDM4E B2RXH2 10/20 0.41
GAA P10253 6/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
AHR P35869 1/20 0.40
ALDH1A1 P00352 7/20 0.40
HPGD P15428 3/20 0.40
CYP17A1 P05093 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GLA P06280 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
MAOA P21397 2/20 0.38
LMNA P02545 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3875122 0.88 NQO1 (0.44) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL3882623 0.80 NQO1 (0.43) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL5715689 0.77 NQO1 (0.34) NQO1KDM4EGAAMAPTALDH1A1
SCHEMBL3874333 0.77 NQO1 (0.41) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL3881093 0.76 NQO1 (0.43) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL3879176 0.76 MAOA (0.50) KDM4EMAPTALDH1A1HPGDMAOA
SCHEMBL3887278 0.72 POLB (0.41) NQO1KDM4EGAAMAPTALDH1A1
SCHEMBL17584775 0.72 NQO1 (0.46) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL29362427 0.72 NQO1 (0.46) NQO1KDM4EGAAHSD17B10MAPT
SCHEMBL23776250 0.72 ALDH1A1 (0.43) KDM4EGAAHSD17B10MAPTALDH1A1

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 NQO1 222/4885KDM4E 1549/4885GAA 3637/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NQO1 222/4885KDM4E 1549/4885GAA 3637/4885

“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.