SCHEMBL3877959

SCHEMBL3877959

CN(CCO)c1ccc(N)c2sc3ccccc3c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.37
KMT2A Q03164 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 4/20 0.37
USP2 O75604 3/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HBB P68871 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GAA P10253 1/20 0.37
CRHBP P24387 1/20 0.37
BRCA1 P38398 1/20 0.37
CRHR2 Q13324 1/20 0.37
LIMK1 P53667 2/20 0.36
CHEK1 O14757 1/20 0.36
NEK2 P51955 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.34

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
SCHEMBL3873535 0.90 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTMEN1USP2
SCHEMBL3875295 0.86 LIMK1 (0.36) ALDH1A1KMT2AMAPTMEN1LIMK1
SCHEMBL3874664 0.83 CHEK1 (0.33) ALDH1A1MAPTLIMK1CHEK1NEK2
SCHEMBL3876546 0.80 CHEK1 (0.31) ALDH1A1MAPTLIMK1CHEK1NEK2
SCHEMBL3878213 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTMEN1USP2
SCHEMBL3880854 0.78 LIMK1 (0.36) ALDH1A1KMT2AMAPTMEN1LIMK1
SCHEMBL3878200 0.76 ALDH1A1 (0.35) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL3882237 0.73 GPR3 (0.46) ALDH1A1KMT2AMAPTMEN1HSD17B10
SCHEMBL3874794 0.73 CHEK1 (0.33) ALDH1A1MAPTLIMK1CHEK1NEK2
SCHEMBL28672130 0.72 KMT2A (0.43) ALDH1A1KMT2AMAPTMEN1USP2

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 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 ALDH1A1 660/4885KMT2A 1681/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALDH1A1 660/4885KMT2A 1681/4885MAPT 420/4885

“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.