SCHEMBL2929487

SCHEMBL2929487

Cc1ccc2[nH]c(C(=O)NCCC[N+](C)(C)C)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.49
DRD2 P14416 2/20 0.43
DRD3 P35462 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40

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
SCHEMBL7834443 0.91 KDM4E (0.42) KDM4EDRD2DRD3HDAC1HDAC2
SCHEMBL2928566 0.82 HDAC3 (0.49) KDM4EDRD2DRD3HDAC1HDAC2
SCHEMBL2928954 0.76 KDM4E (0.42) KDM4EDRD2DRD3HDAC1HDAC2
SCHEMBL7839301 0.74 HDAC3 (0.47) KDM4EDRD2DRD3HDAC1HDAC2
SCHEMBL2926629 0.73 KDM4E (0.42) KDM4EHDAC1HDAC2ALDH1A1MAPT
SCHEMBL8911576 0.72 KDM4E (0.53) KDM4EALDH1A1MAPTLMNAHSD17B10
SCHEMBL7834300 0.66 POLB (0.43) KDM4EALDH1A1HTTHSD17B10POLB
SCHEMBL7153095 0.65 HDAC1 (0.41) KDM4EHDAC1HDAC2MAPTHDAC3
SCHEMBL12876249 0.65 L3MBTL1 (0.64) ALDH1A1LMNANPC1POLBRAB9A
Hydrochloric Acid SCHEMBL7129548 0.64 HDAC1 (0.41) KDM4EHDAC1HDAC2MAPTHDAC3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6528650-B2 Mixture containing coupler L'OREAL S.A. (FR) 2003-03-04 US claimed
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2003-01-30 US claimed
US-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2002-03-21 US claimed
US-6306181-B1 FOR DYEING HUMAN HAIR L'OREAL (FR) 2001-10-23 US claimed
EP-0989128-B1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres OREAL (FR) 2001-03-21 EP claimed
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 EP claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
US-6528650-B2 Mixture containing coupler L'OREAL S.A. (FR) 2003-03-04 US disclosed
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2003-01-30 US disclosed
US-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing L'OREAL 2002-03-21 US disclosed
US-6306181-B1 FOR DYEING HUMAN HAIR L'OREAL (FR) 2001-10-23 US disclosed
EP-0989128-B1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres OREAL (FR) 2001-03-21 EP disclosed
EP-0989128-A1 4-Hydroxyindoles kationic and their use for oxidation dyeing of keratinous fibres L'OREAL (FR) 2000-03-29 EP 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-20020032937-A1 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing KRT18, KMO, H1-5 KDM4E 289/4885DRD2 492/4885DRD3 721/4885
US-20030019050-A9 Novel cationic 4-hydroxyindoles, their use for the oxidation dyeing of keratinous fibers, dyeing compositions, and methods of dyeing KRT18, KMO, H1-5 KDM4E 289/4885DRD2 492/4885DRD3 721/4885

“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.