SCHEMBL3876546

SCHEMBL3876546

CN(CC(O)C(O)C(O)C(O)CO)c1ccc(N)c2sc3ccccc3c12

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
RAB9A P51151 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL3884108 0.91 EGFR (0.32) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3874664 0.87 CHEK1 (0.33) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3873138 0.84 ALDH1A1 (0.32) NPC1ALDH1A1LMNAGLAMAPT
SCHEMBL3873730 0.82 ALDH1A1 (0.32) NPC1ALDH1A1LMNAGLAMAPT
SCHEMBL3877959 0.80 ALDH1A1 (0.37) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3874794 0.78 CHEK1 (0.33) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3876660 0.76 L3MBTL1 (0.34) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3882386 0.75 PABPC1 (0.38) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3876921 0.73 L3MBTL1 (0.34) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3873192 0.72 PABPC1 (0.38) CHEK1NEK2LIMK1DYRK1ACLK4

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 5 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-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 CHEK1 811/4885NEK2 1519/4885LIMK1 3428/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CHEK1 811/4885NEK2 1519/4885LIMK1 3428/4885

“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.