SCHEMBL3882537

SCHEMBL3882537

Cc1cc(N(C)CCO)c2c(c1N)c1ccccc1n2C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
USP2 O75604 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HBB P68871 2/20 0.41
GAA P10253 1/20 0.41
CRHBP P24387 1/20 0.41
BRCA1 P38398 1/20 0.41
CRHR2 Q13324 1/20 0.41
PABPC1 P11940 1/20 0.40
HPGD P15428 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38

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
SCHEMBL3874922 0.89 KDM4E (0.43) KDM4EMAPTALDH1A1HSD17B10PABPC1
SCHEMBL3882254 0.84 CDK4 (0.41) KDM4EMAPTALDH1A1GAAPABPC1
SCHEMBL3879633 0.82 KDM4E (0.37) KDM4EMAPTPABPC1TP53ALKBH5
SCHEMBL3879049 0.81 PABPC1 (0.43) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL3874255 0.77 KDM4E (0.43) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL27653219 0.75 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10ALKBH5
SCHEMBL3885326 0.75 KDM4E (0.42) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL3877123 0.75 KDM4E (0.56) KDM4EMAPTALDH1A1HSD17B10GAA
SCHEMBL3884362 0.74 MEN1 (0.43) KDM4EMAPTMEN1KMT2AUSP2
SCHEMBL3872755 0.74 KDM4E (0.48) KDM4EMAPTPABPC1ALKBH5FTO

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 9 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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN 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 KDM4E 1549/4885MAPT 420/4885MEN1 4857/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885MEN1 4857/4885

“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.