SCHEMBL3878129

SCHEMBL3878129

Cc1cc(NCCCO)c2c([nH]c3ccccc32)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
TERT O14746 2/20 0.45
BRD4 O60885 1/20 0.43
UTS2R Q9UKP6 3/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 5/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
NR4A1 P22736 1/20 0.38
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 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
SCHEMBL3874451 0.93 TERT (0.43) KDM4ETERTBRD4UTS2RMEN1
SCHEMBL3881291 0.92 KDM4E (0.46) KDM4ETERTBRD4UTS2RMEN1
SCHEMBL3874903 0.84 TERT (0.43) KDM4ETERTBRD4UTS2RMEN1
SCHEMBL3881304 0.84 MAPT (0.45) UTS2RMEN1KMT2AMAPTALDH1A1
SCHEMBL3877146 0.80 KDM4E (0.49) KDM4ETERTUTS2RMEN1KMT2A
SCHEMBL3880609 0.78 KDM4E (0.49) KDM4ETERTBRD4UTS2RMEN1
SCHEMBL3872796 0.76 ALDH1A1 (0.52) KDM4EBRD4MAPTALDH1A1HPGD
SCHEMBL27673130 0.76 ALDH1A1 (0.44) KDM4ETERTMEN1KMT2AMAPT
SCHEMBL3874448 0.76 MAPT (0.45) UTS2RMEN1KMT2AMAPTALDH1A1
SCHEMBL3876213 0.74 MEN1 (0.43) KDM4EMEN1KMT2AMAPTPOLB

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 1549/4885TERT 608/4885BRD4 1586/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 KDM4E 1549/4885TERT 608/4885BRD4 1586/4885

“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.