SCHEMBL6007829

SCHEMBL6007829

CCC(O)(O)Nc1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 5/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 3/20 0.37
CYP1A2 P05177 2/20 0.37
LMNA P02545 2/20 0.37
MAOA P21397 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PKM P14618 2/20 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
SCHEMBL6668461 0.82 RAB9A (0.38) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL2450491 0.82 RAB9A (0.38) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL29391961 0.81 ESR1 (0.45) TP53SMN1; SMN2MAPTTDP1TSHR
Hydrochloric Acid SCHEMBL6667779 0.80 RAB9A (0.37) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL9399546 0.78 GAA (0.41) MAPTTSHRCYP2C19ALOX12KMT2A
SCHEMBL6744245 0.78 ADRA2B (0.37) MAPTTDP1MAOAALDH1A1L3MBTL1
SCHEMBL21799836 0.77 MAPT (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL21799469 0.77 MAPT (0.40) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL3858324 0.76 MAPT (0.36) RAB9ANPC1TP53SMN1; SMN2MAPT
SCHEMBL3626997 0.76 MAPT (0.43) RAB9ANPC1TP53SMN1; SMN2MAPT

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6579326-B2 For dyeing hair L'OREAL S.A. (FR) 2003-06-17 US claimed
US-6537328-B1 Hair dye L'OREAL S.A. (FR) 2003-03-25 US claimed
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS L'OREAL S.A. (FR) 2003-02-13 US claimed
US-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process BRETON PHILIPPE (FR) 2001-11-29 US claimed
US-5938792-A APPLYING TO KERATINOUS FIBERS UNDER BASIC CONDITIONS COMPOSITION COMPRISING AMINOINDOLE COUPLER, OXIDATION DYE PRECURSOR, OXIDIZING AGENT L'OREAL (FR) 1999-08-17 US claimed
US-5752982-A DYEING HAIR IN LIGHTFAST, WASHFAST COLORS L'OREAL (FR) 1998-05-19 US claimed
EP-0589952-B1 USE OF SUPLHUR METAAMINOPHENOLS FOR DYEING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS OREAL (FR) 1997-08-27 EP claimed
EP-0591373-B1 META-AMINOPHENOLS, THEIR USE AS COUPLERS FOR OXIDATION DYEING OF KERATINOUS FIBRES, DYE COMPOSITIONS AND METHOD OREAL (FR) 1996-05-22 EP claimed
EP-0578735-B1 NOVEL KERATIN FIBRE DYEING METHOD USING AMINOINDOLES, WITH ACID pH, COMPOSITIONS THEREFOR AND NOVEL AMINOINDOLE COMPOUNDS OREAL (FR) 1996-01-03 EP claimed
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 US claimed
EP-0506549-B1 Dyeing composition for keratinous fibers containing oxidation dye precursors and hydroxybenzofurans as couplers and dyeing process making use of such a composition OREAL (FR) 1995-10-18 EP claimed
EP-0580713-B1 METHOD FOR DYEING KERATIN FIBRES WITH AMINOINDOLES HAVING ALKALINE pH, AND COMPOSITIONS THEREFOR OREAL (FR) 1995-03-01 EP claimed
EP-0589952-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS. OREAL (FR) 1994-04-06 EP claimed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 US claimed
WO-1992022525-A1 USE OF SUPLHUROUS METAAMINOPHENOLS FOR DYING KERATINIC FIBRES, TINCTORIAL COMPOSITIONS AND NOVEL COMPOUNDS L'OREAL (FR) 1992-12-23 WO claimed
US-7115147-B2 Composition for the oxidation dyeing of keratin fibres, comprising an oxyalkylenated carboxylic acid ether, a mono- or polyglycerolated surfactant and a nonionic oxyalkylenated surfactant L'OREAL (FR) 2006-10-03 US disclosed
US-20030229948-A1 Composition for the oxidation dyeing of keratin fibres, comprising an oxyalkylenated caboxylic acid ether, a mono-or polyglycerolated surfactant and a nonionic oxyalkylenated surfactant L'OREAL (FR) 2003-12-18 US disclosed
US-5478359-A Applying a hair dyes L'OREAL (FR) 1995-12-26 US disclosed
US-5443596-A Keratinous fiber dyeing compositions and processes utilizing oxidation dye precursors in combination with dimethoxy meta-aminophenol couplers L'OREAL (FR) 1995-08-22 US disclosed
US-5203875-A Hair dyes also using ortho- and para-phenylenediamines or aminophenols; colorfastness; washfastness; perspiration resistance L'OREAL (FR) 1993-04-20 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 (3 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-20010044974-A1 Compositions for dyeing keratin fibers, containing cationic indolizine derivatives, and dyeing process KRT18, INMT, KMO RAB9A 4104/4885NPC1 4853/4885TP53 2661/4885
US-20030028975-A9 COMPOSITIONS FOR DYEING KERATIN FIBERS, CONTAINING CATIONIC INDOLIZINE DERIVATIVES, AND DYEING PROCESS KRT18, INMT, KMO RAB9A 4118/4885NPC1 4840/4885TP53 2453/4885
US-20030229948-A1 Composition for the oxidation dyeing of keratin fibres, comprising an oxyalkylenated caboxylic acid ether, a mono-or polyglycerolated surfactant and a nonionic oxyalkylenated surfactant KRT18, KRTCAP2, PLOD2 RAB9A 4686/4885NPC1 2751/4885TP53 2830/4885

“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.