SCHEMBL14940690

SCHEMBL14940690

O=[N+]([O-])c1ccccc1NCOCCC(O)O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KAT2B Q92831 2/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.43
IDO1 P14902 1/20 0.43
CASP7 P55210 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8544433 0.84 MAPT (0.55) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL9563160 0.82 KAT2B (0.60) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL9120897 0.79 KAT2B (0.57) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL29111881 0.77 MAPT (0.54) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL869207 0.75 KAT2B (0.55) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL8718178 0.74 MAPT (0.70) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL16861185 0.73 NPC1 (0.72) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL9820324 0.72 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL20798658 0.72 MAPT (0.63) MAPTSMN1; SMN2NPC1RAB9AKAT2B
SCHEMBL9781715 0.72 KAT2B (0.64) MAPTSMN1; SMN2NPC1RAB9AKAT2B

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 13 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-9565915-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-9566221-B2 Methods for altering the color and appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2015-09-24 US disclosed
US-20140326270-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-11-06 US disclosed
US-20140305464-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-10-16 US disclosed
EP-2775992-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-09-17 EP disclosed
EP-2775991-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-09-17 EP disclosed
WO-2014074825-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2014-05-15 WO disclosed
WO-2013071194-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-2013071196-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

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-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR COXFA4L2, TYR, COX5A MAPT 2207/4885SMN1; SMN2 4619/4885NPC1 4476/4885

“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.