SCHEMBL2929583

SCHEMBL2929583

Cn1c(C(=O)NCCCn2cc[n+](C)c2)cc2c(O)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 16/20 0.42
KDM4E B2RXH2 16/20 0.42
ALDH1A1 P00352 16/20 0.42
HPGD P15428 12/20 0.42
MAPK1 P28482 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
RAD52 P43351 1/20 0.42
TSHR P16473 5/20 0.41
ALOX15 P16050 2/20 0.41
CREBBP Q92793 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
CASP1 P29466 2/20 0.39
CASP7 P55210 2/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2924855 0.85 KDM4E (0.40) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL2928524 0.79 DRD2 (0.46) HSD17B10KDM4EALDH1A1HDAC1HDAC2
SCHEMBL2928038 0.77 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL5008054 0.77 KDM4E (0.47) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL5007922 0.76 L3MBTL1 (0.59) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL4998210 0.75 L3MBTL1 (0.55) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL5981594 0.74 MAPT (0.58) HSD17B10KDM4EALDH1A1HPGDMAPK1
SCHEMBL18568294 0.70 SMN1; SMN2 (0.51) HSD17B10ALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL12993655 0.70 HTT (0.46) KDM4EALDH1A1MAPK1SMN1; SMN2MAPT
SCHEMBL7838676 0.70 KDM4E (0.46) HSD17B10KDM4EALDH1A1HPGDMAPK1

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 13 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

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 HSD17B10 222/4885KDM4E 289/4885ALDH1A1 780/4885
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 HSD17B10 222/4885KDM4E 289/4885ALDH1A1 780/4885

“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.