SCHEMBL3876103

SCHEMBL3876103

Cc1cc(N(C)CC(O)C(O)C(O)C(O)CO)c2[nH]c3ccccc3c2c1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
ABCB1 P08183 1/20 0.33
PARP1 P09874 1/20 0.32
CDK4 P11802 1/20 0.32
CCND1 P24385 1/20 0.32
CAMK2B Q13554 1/20 0.32
CAMK2G Q13555 1/20 0.32
CAMK2D Q13557 1/20 0.32
CAMK2A Q9UQM7 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KIF11 P52732 1/20 0.32
GABRP O00591 3/20 0.32
GABRD O14764 3/20 0.32
GABRA1 P14867 3/20 0.32
GABRB1 P18505 3/20 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
SCHEMBL3876130 0.92 MAPT (0.36) MEN1KMT2AMAPTL3MBTL1ABCB1
SCHEMBL3876649 0.88 MEN1 (0.39) MEN1KMT2AMAPTL3MBTL1ABCB1
SCHEMBL3876921 0.85 L3MBTL1 (0.34) MEN1KMT2AMAPTL3MBTL1GABRP
SCHEMBL3876660 0.83 L3MBTL1 (0.34) MEN1KMT2AMAPTL3MBTL1GABRP
SCHEMBL3884362 0.82 MEN1 (0.43) MEN1KMT2AMAPTL3MBTL1ABCB1
SCHEMBL3885259 0.79 MAPT (0.39) MEN1KMT2AMAPTL3MBTL1ABCB1
SCHEMBL3873730 0.78 ALDH1A1 (0.32) MAPTL3MBTL1ALDH1A1TSHRPOLB
SCHEMBL3874347 0.78 EGFR (0.31) MAPTALDH1A1KDM4EEGFR
SCHEMBL3879633 0.77 KDM4E (0.37) MAPTCDK4CCND1GABRPGABRD
SCHEMBL3873138 0.76 ALDH1A1 (0.32) MAPTL3MBTL1ALDH1A1TSHRPOLB

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 MEN1 4857/4885KMT2A 1681/4885MAPT 420/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MEN1 4857/4885KMT2A 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.