SCHEMBL210588

SCHEMBL210588

CCc1ccc(NC(C)O)c([N+](=O)[O-])c1NCCO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
ATM Q13315 1/20 0.41
MAPT P10636 8/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 4/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CDK5 Q00535 2/20 0.35
CDK5R1 Q15078 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
HCAR3 P49019 1/20 0.33

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
Hydrochloric Acid SCHEMBL4863916 0.99 RAB9A (0.43) RAB9AATMMAPTKMT2AMEN1
SCHEMBL14118361 0.90 RAB9A (0.43) RAB9AATMMAPTKMT2AMEN1
SCHEMBL5912889 0.88 RAB9A (0.49) RAB9AATMMAPTKMT2AMEN1
SCHEMBL2033441 0.87 HCAR3 (0.37) MAPTKMT2AMEN1GAAALDH1A1
SCHEMBL29452912 0.87 RAB9A (0.52) RAB9AMAPTKMT2AMEN1TDP1
SCHEMBL3184571 0.87 RAB9A (0.52) RAB9AMAPTKMT2AMEN1TDP1
SCHEMBL6004232 0.86 MAPT (0.40) RAB9AATMMAPTKMT2AMEN1
SCHEMBL1815585 0.86 RAB9A (0.49) RAB9AATMMAPTKMT2AMEN1
SCHEMBL15019998 0.83 RAB9A (0.46) RAB9AATMMAPTKMT2AMEN1
SCHEMBL9021281 0.83 RAB9A (0.42) RAB9AATMMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158942-A2 Direct hair dye composition comprising insoluble oxygenated compounds and processes L'Oreal (FR) 2010-03-03 EP claimed
US-7651534-B2 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL SA (FR) 2010-01-26 US claimed
EP-1757326-B1 Direct dying composition comprising insoluble oxygenated compounds and processes OREAL (FR) 2009-01-07 EP claimed
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition L'OREAL S.A. (FR) 2007-03-01 US claimed
EP-1757326-A1 Direct dying composition comprising insoluble oxygenated compounds and processes L'Oréal (FR) 2007-02-28 EP claimed
EP-1430876-A1 Composition containing a direct dyestuff and a specific polymer for colouring of keratinic fibres, method for the preparation thereof and process of dyeing with such a composition L'OREAL (FR) 2004-06-23 EP claimed
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT L'OREAL (FR) 2023-03-02 US disclosed
EP-3389622-B1 OXIDIZING COMPOSITION FOR TREATING KERATIN MATERIALS, COMPRISING A FATTY SUBSTANCE AND OXYALKYLENATED SURFACTANTS OREAL (FR) 2023-01-04 EP disclosed
EP-3544576-B1 DYE COMPOSITION COMPRISING 12-HYDROXYSTEARIC ACID, AN ORGANIC AMINE AND A DYE OREAL (FR) 2021-08-18 EP disclosed
US-10765612-B2 Dye composition comprising 12-hydroxystearic acid, an organic amine and a dye L'OREAL (FR) 2020-09-08 US disclosed
EP-2515842-B1 DYEING COMPOSITION COMPRISING A POLYCONDENSATE OF ETHYLENE OXIDE AND PROPYLENE OXIDE OREAL (FR) 2020-04-29 EP disclosed
EP-3494956-A2 PROCÉDÉ POUR LE DÉCAPAGE DE FIBRES KÉRATINIQUES UTILISANT UNE COMPOSITION COMPRENANT UN DÉRIVE DACIDE SULFINIQUE ET UNE COMPOSITION AQUEUSE ACIDE L'Oréal (FR) 2019-06-12 EP disclosed
EP-3265052-B1 COMPOSITIONS COMPRISING MENTHOL COMPOUNDS AS SOOTHING AGENTS SYMRISE AG (DE) 2019-04-24 EP disclosed
EP-1380820-A1 Procedure of determining the composition of a dyeing product L'OREAL S.A. (FR) 2004-01-14 EP disclosed
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-08-14 US disclosed
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone L'OREAL S.A. (FR) 2003-07-31 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 US disclosed
EP-1312343-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL S.A. (FR) 2003-05-21 EP disclosed
EP-1312344-A2 Dyeing composition for keratinous fibres containing aminosilicone L'OREAL (FR) 2003-05-21 EP disclosed
EP-1297819-A2 Composition for dyeing keratinous fibres comprising a cationic azo dye L'OREAL (FR) 2003-04-02 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 (6 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 RAB9A 4615/4885ATM 4274/4885MAPT 468/4885
US-10765612-B2 Dye composition comprising 12-hydroxystearic acid, an organic amine and a dye CD44, DHCR7, HAAO RAB9A 2807/4885ATM 2910/4885MAPT 1331/4885
US-20230065360-A1 COSMETIC COMPOSITION COMPRISING A POLYMER COMPRISING AT LEAST ONE CATIONIC (METH)ACRYLAMIDE UNIT, A PARTICULAR SILICONE AND AT LEAST ONE SURFACTANT KRT18, ACR, MUC1 RAB9A 3929/4885ATM 8/4885MAPT 804/4885
US-20070044251-A1 Direct dye composition comprising at least one insoluble oxygenated compound, and processes using this composition KRT18, DSG1, PLOD2 RAB9A 4251/4885ATM 1566/4885MAPT 645/4885
US-20030152534-A1 Composition for dyeing keratin fibers comprising a particular aminosilicone KRT18, TUBB8, TUBA8 RAB9A 3790/4885ATM 605/4885MAPT 1587/4885
US-20030140429-A1 Keratin fibre dyeing composition comprising a particular aminosilicone KRT18, TUBB3, TUBA3E RAB9A 3881/4885ATM 474/4885MAPT 578/4885

“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.