SCHEMBL3874398

SCHEMBL3874398

Nc1ccc(NCCO)c2c3ccccc3n(CCO)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.38
NQO2 P16083 1/20 0.38
KDR P35968 3/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 2/20 0.37
ATM Q13315 1/20 0.37
MAP3K11 Q16584 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RECQL P46063 2/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
CCNE2 O96020 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CYP2C19 P33261 1/20 0.33
USP2 O75604 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3881287 0.93 NQO2 (0.46) NQO1NQO2KDRPOLBMAPT
SCHEMBL3873761 0.89 IDO1 (0.38) NQO1NQO2KDRPOLBMAPT
SCHEMBL3884371 0.86 KDM4E (0.40) NQO1NQO2POLBMAPTMEN1
SCHEMBL3878062 0.83 POLB (0.43) KDRPOLBMAPTATMMAP3K11
SCHEMBL3883079 0.79 NQO2 (0.47) NQO1NQO2POLBMAPTMEN1
SCHEMBL3878943 0.78 KDM4E (0.43) NQO1NQO2POLBMAPTMEN1
SCHEMBL3882792 0.74 MAPT (0.37) KDRPOLBMAPTATMMAP3K11
SCHEMBL3876710 0.72 MAPT (0.39) KDRPOLBMAPTATMMAP3K11
SCHEMBL3880354 0.71 KDM4E (0.44) MAPTALDH1A1LMNAHPGDKDM4E
SCHEMBL3882739 0.71 NQO2 (0.44) NQO1NQO2POLBMAPTMEN1

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 222/4885NQO2 648/4885KDR 4095/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NQO1 222/4885NQO2 648/4885KDR 4095/4885

“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.