SCHEMBL3873513

SCHEMBL3873513

Cn1c2cc(N)c(O)cc2c2cc(O)c(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.43
ALDH1A1 P00352 8/20 0.38
MAPT P10636 6/20 0.38
GAA P10253 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 2/20 0.38
RECQL P46063 2/20 0.38
HSD17B10 Q99714 5/20 0.37
ALOX15 P16050 3/20 0.37
ATAD2 Q6PL18 1/20 0.36
KDM4E B2RXH2 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
ALOX12 P18054 2/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL3878171 0.91 PABPC1 (0.40) PABPC1ALDH1A1MAPTGAAMEN1
SCHEMBL3879035 0.87 PABPC1 (0.62) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3878322 0.80 PABPC1 (0.48) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3882600 0.80 SRC (0.45) ALDH1A1MAPTHSD17B10KDM4EBCHE
SCHEMBL3887027 0.79 PABPC1 (0.58) PABPC1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6745385 0.76 ATAD2 (0.64) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL3877124 0.75 SRC (0.37) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL9868131 0.73 ALDH1A1 (0.46) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL8349495 0.71 GPR35 (0.41) ALDH1A1MAPTGAAMEN1KMT2A
SCHEMBL27653088 0.69 PABPC1 (0.55) PABPC1ALDH1A1MAPTMEN1KMT2A

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 PABPC1 3783/4885ALDH1A1 660/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 PABPC1 3783/4885ALDH1A1 660/4885MAPT 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.