SCHEMBL3880717

SCHEMBL3880717

Cn1c2ccccc2c2c(N(CCO)CCNC(N)=O)ccc(N)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
EGFR P00533 2/20 0.39
KDM4E B2RXH2 9/20 0.38
ALDH1A1 P00352 6/20 0.38
HSD17B10 Q99714 6/20 0.38
HPGD P15428 4/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
KMT2A Q03164 3/20 0.38
THRB P10828 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SRC P12931 1/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 2/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3874000 0.88 PABPC1 (0.41) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3887855 0.79 LIMK1 (0.42) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3885442 0.77 TERT (0.36) POLBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL3883612 0.76 ALDH1A1 (0.38) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL3882792 0.76 MAPT (0.37) POLBKDM4EALDH1A1TSHRKMT2A
SCHEMBL3878200 0.75 ALDH1A1 (0.35) POLBKDM4EALDH1A1HPGDGAA
SCHEMBL3875316 0.74 ALDH1A1 (0.38) POLBKDM4EALDH1A1HPGDGLA
SCHEMBL3874925 0.73 ALDH1A1 (0.35) POLBKDM4EALDH1A1HSD17B10HPGD
SCHEMBL3876809 0.73 TERT (0.36) POLBEGFRKDM4EALDH1A1HSD17B10
SCHEMBL3879049 0.71 PABPC1 (0.43) POLBKDM4EALDH1A1HSD17B10HPGD

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 POLB 796/4885EGFR 1697/4885KDM4E 1549/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 POLB 796/4885EGFR 1697/4885KDM4E 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.