SCHEMBL2924855

SCHEMBL2924855

Cc1ccc2c(cc(C(=O)NCCCn3cc[n+](C)c3)n2C)c1O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 16/20 0.40
ALDH1A1 P00352 15/20 0.40
HSD17B10 Q99714 15/20 0.40
HPGD P15428 11/20 0.40
TSHR P16473 5/20 0.40
GAA P10253 3/20 0.40
CASP7 P55210 3/20 0.40
GLA P06280 2/20 0.40
ATM Q13315 2/20 0.40
CASP1 P29466 2/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RAD52 P43351 2/20 0.38
ALOX15 P16050 1/20 0.36
CREBBP Q92793 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 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
SCHEMBL2929583 0.85 HSD17B10 (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL2928954 0.79 KDM4E (0.42) KDM4EALDH1A1GAAKMT2AMAPT
SCHEMBL2926629 0.78 KDM4E (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL7834300 0.71 POLB (0.43) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL18568294 0.70 SMN1; SMN2 (0.51) ALDH1A1HSD17B10KMT2AMAPK1MAPT
SCHEMBL12993655 0.69 HTT (0.46) KDM4EALDH1A1TSHRGAAKMT2A
SCHEMBL2928524 0.68 DRD2 (0.46) KDM4EALDH1A1HSD17B10KMT2APOLB
SCHEMBL31079918 0.65 TDP1 (0.47) GAAKMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL19342158 0.65 PHGDH (0.42) KDM4EALDH1A1HSD17B10HPGDTSHR
Iodide SCHEMBL31080033 0.64 TDP1 (0.46) GAAKMT2AMAPK1MAPTSMN1; SMN2

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 289/4885ALDH1A1 780/4885HSD17B10 222/4885
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 289/4885ALDH1A1 780/4885HSD17B10 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.