SCHEMBL3885326

SCHEMBL3885326

Cc1cc(NCCCO)c2c(c1N)c1ccccc1n2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
NQO1 P15559 1/20 0.40
NQO2 P16083 1/20 0.40
ALDH1A1 P00352 3/20 0.38
UTS2R Q9UKP6 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.37
FTO Q9C0B1 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35

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
SCHEMBL3874255 0.93 KDM4E (0.43) KDM4EMAPTNQO2ALDH1A1UTS2R
SCHEMBL3872755 0.85 KDM4E (0.48) KDM4EMAPTNQO2UTS2RALKBH5
SCHEMBL3882739 0.82 NQO2 (0.44) KDM4EMAPTNQO1NQO2ALDH1A1
SCHEMBL3883079 0.80 NQO2 (0.47) KDM4EMAPTNQO1NQO2ALDH1A1
SCHEMBL27653219 0.77 KDM4E (0.42) KDM4EMAPTNQO2ALDH1A1ALKBH5
SCHEMBL3882537 0.75 KDM4E (0.43) KDM4EMAPTNQO2ALDH1A1ALKBH5
SCHEMBL3878943 0.74 KDM4E (0.43) KDM4EMAPTNQO1NQO2ALDH1A1
SCHEMBL3877123 0.74 KDM4E (0.56) KDM4EMAPTNQO2ALDH1A1ALKBH5
SCHEMBL3881291 0.74 KDM4E (0.46) KDM4EMAPTALDH1A1UTS2RGAA
SCHEMBL3874922 0.74 KDM4E (0.43) KDM4EMAPTNQO2ALDH1A1ALKBH5

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 KDM4E 1549/4885MAPT 420/4885NQO1 222/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885MAPT 420/4885NQO1 222/4885

“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.