SCHEMBL3883079

SCHEMBL3883079

Cn1c2ccccc2c2c(NCCCO)ccc(N)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.47
NQO1 P15559 3/20 0.47
UTS2R Q9UKP6 1/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.37
DYRK3 O43781 1/20 0.36
RPS6KB1 P23443 1/20 0.36
EPHA2 P29317 1/20 0.36
FLT4 P35916 1/20 0.36
CSNK2A1 P68400 1/20 0.36
POLB P06746 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 2/20 0.36
HTR5A P47898 1/20 0.35

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
SCHEMBL3884371 0.92 KDM4E (0.40) NQO2NQO1UTS2RMAPTKDM4E
SCHEMBL3882739 0.90 NQO2 (0.44) NQO2NQO1UTS2RMAPTKDM4E
SCHEMBL3881287 0.86 NQO2 (0.46) NQO2NQO1MAPTKDM4EALDH1A1
SCHEMBL3880354 0.84 KDM4E (0.44) UTS2RMAPTKDM4EALDH1A1GAA
SCHEMBL3878943 0.82 KDM4E (0.43) NQO2NQO1UTS2RMAPTKDM4E
SCHEMBL3885326 0.80 KDM4E (0.42) NQO2NQO1UTS2RMAPTKDM4E
SCHEMBL3874398 0.79 NQO1 (0.38) NQO2NQO1MAPTKDM4EALDH1A1
SCHEMBL3873761 0.78 IDO1 (0.38) NQO2NQO1MAPTKDM4EALDH1A1
SCHEMBL3874357 0.75 SMN1; SMN2 (0.47) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL3882088 0.75 SMN1; SMN2 (0.47) UTS2RMAPTKDM4EALDH1A1GAA

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 NQO2 648/4885NQO1 222/4885UTS2R 3676/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 NQO2 648/4885NQO1 222/4885UTS2R 3676/4885

“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.