SCHEMBL1815585

SCHEMBL1815585

CC(O)Nc1ccc(NCCO)c([N+](=O)[O-])c1NCCO

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 3/20 0.42
MAPT P10636 9/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.37
KAT2B Q92831 1/20 0.36
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL5912889 0.95 RAB9A (0.49) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL15019998 0.95 RAB9A (0.46) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL210588 0.86 RAB9A (0.43) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL14118361 0.86 RAB9A (0.43) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL209618 0.85 RAB9A (0.58) RAB9AALDH1A1TSHRTDP1KMT2A
Hydrochloric Acid SCHEMBL4863916 0.85 RAB9A (0.43) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL9372411 0.80 RAB9A (0.53) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL1996936 0.80 RAB9A (0.53) RAB9AALDH1A1TSHRTDP1KMT2A
SCHEMBL2045312 0.79 HCAR3 (0.38) ALDH1A1TDP1MAPTSMN1; SMN2HTT
SCHEMBL3184571 0.79 RAB9A (0.52) RAB9AALDH1A1TSHRTDP1KMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9578944-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-28 US disclosed
US-9565916-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-20140311517-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-10-23 US disclosed
US-20140305464-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-10-16 US disclosed
EP-2787962-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-10-15 EP disclosed
EP-2775991-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-09-17 EP disclosed
EP-2775992-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-09-17 EP disclosed
US-8771376-B2 Composition comprising at least one 2-pyrrolidone functionalized with an ester or amide radical, and at least one pigment or direct dye, for dyeing keratin materials L'OREAL (FR) 2014-07-08 US disclosed
WO-2014074825-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2014-05-15 WO disclosed
EP-2642976-A2 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION L'Oréal (FR) 2013-10-02 EP disclosed
US-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS L'OREAL (FR) 2013-06-20 US disclosed
WO-2013071194-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071196-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071182-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071191-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071192-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2012069599-A2 PROCESS FOR STRIPPING KERATIN FIBRES USING A COMPOSITION COMPRISING A SULFINIC ACID DERIVATIVE AND AN ACIDIC AQUEOUS COMPOSITION L'OREAL (FR) 2012-05-31 WO disclosed
EP-1877142-B1 COSMETIC DYEING COMPOSITION COMPRISING A HYDROPHOBIC DYE AND A PROPYLENE GLYCOL DERIVATIVE OREAL (FR) 2011-05-25 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 (1 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-20130152314-A1 COMPOSITION COMPRISING AT LEAST ONE 2-PYRROLIDONE FUNCTIONALIZED WITH AN ESTER OR AMIDE RADICAL, AND AT LEAST ONE PIGMENT OR DIRECT DYE, FOR DYEING KERATIN MATERIALS KRT18, ADH1A, ADH5 RAB9A 3925/4885ALDH1A1 40/4885TSHR 2936/4885

“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.