SCHEMBL2928524

SCHEMBL2928524

C[n+]1ccn(CCCNC(=O)c2cc3c(O)cccc3[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.46
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC4 P56524 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
HRH4 Q9H3N8 1/20 0.43
DRD3 P35462 2/20 0.42
PLA2G7 Q13093 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL2928954 0.85 KDM4E (0.42) DRD2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2929583 0.79 HSD17B10 (0.42) HDAC1HDAC2KMT2AKDM4EALDH1A1
SCHEMBL2928566 0.75 HDAC3 (0.49) DRD2HDAC3HDAC1HDAC4HDAC7
SCHEMBL18568294 0.70 SMN1; SMN2 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL12993655 0.69 HTT (0.46) HDAC3NPC1POLBRAB9AMEN1
SCHEMBL7839301 0.68 HDAC3 (0.47) DRD2HDAC3HDAC1HDAC4HDAC7
SCHEMBL2924855 0.68 KDM4E (0.40) POLBKMT2AKDM4EALDH1A1HSD17B10
SCHEMBL24019707 0.66 MEN1 (0.55) DRD2HRH4NPC1POLBRAB9A
SCHEMBL10820941 0.65 DRD2 (0.62) DRD2HDAC3HDAC1HDAC4HDAC7
SCHEMBL915460 0.64 HRH4 (0.55) HRH4RAB9AMEN1KMT2AKDM4E

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 DRD2 492/4885HDAC3 526/4885HDAC1 701/4885
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 DRD2 492/4885HDAC3 526/4885HDAC1 701/4885

“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.