SCHEMBL3879312

SCHEMBL3879312

NC(=O)Nc1cc(N)c2sc3ccccc3c2c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.48
LIMK1 P53667 2/20 0.48
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
GLA P06280 1/20 0.43
ALOX15 P16050 1/20 0.43
ATM Q13315 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PARP14 Q460N5 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
OGG1 O15527 1/20 0.38
EGLN1 Q9GZT9 1/20 0.36
HCRTR1 O43613 2/20 0.36
LMNA P02545 2/20 0.36

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
SCHEMBL3876939 0.89 IKBKB (0.48) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3882583 0.73 ALDH1A1 (0.44) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3879057 0.73 MAPT (0.40) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3876773 0.72 L3MBTL1 (0.40) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3876292 0.71 ALDH1A1 (0.38) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3875812 0.70 MAPK3 (0.45) LIMK1MAPTKDM4EALDH1A1GAA
SCHEMBL19045043 0.70 GAA (0.50) IKBKBLIMK1MAPTKDM4EALDH1A1
SCHEMBL3887278 0.69 POLB (0.41) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL3877018 0.69 DYRK1A (0.42) MAPTKDM4EALDH1A1GAAMEN1
SCHEMBL3882237 0.68 GPR3 (0.46) IKBKBLIMK1MAPTKDM4EALDH1A1

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 IKBKB 4071/4885LIMK1 3428/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 IKBKB 4071/4885LIMK1 3428/4885MAPT 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.