SCHEMBL3885442

SCHEMBL3885442

NC(=O)NCCN(CCO)c1ccc(N)c2[nH]c3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 2/20 0.35
POLB P06746 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
CXCR4 P61073 1/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
EGFR P00533 1/20 0.34
MTNR1A P48039 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
PRKD3 O94806 1/20 0.32

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
SCHEMBL3876809 0.92 TERT (0.36) TERTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3881290 0.88 POLB (0.40) TERTKDM4EALDH1A1POLBTDP1
SCHEMBL3875023 0.78 POLB (0.37) TERTKDM4EALDH1A1POLBTDP1
SCHEMBL3883612 0.77 ALDH1A1 (0.38) KDM4EALDH1A1HPGDPOLBMEN1
SCHEMBL3880717 0.77 POLB (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3878200 0.77 ALDH1A1 (0.35) KDM4EALDH1A1HPGDPOLBDYRK1A
SCHEMBL3875337 0.76 POLB (0.38) TERTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL3875316 0.75 ALDH1A1 (0.38) TERTKDM4EALDH1A1HPGDPOLB
SCHEMBL3874925 0.74 ALDH1A1 (0.35) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL3876213 0.70 MEN1 (0.43) KDM4EALDH1A1POLBMEN1KMT2A

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 TERT 608/4885KDM4E 1549/4885ALDH1A1 660/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TERT 608/4885KDM4E 1549/4885ALDH1A1 660/4885

“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.