SCHEMBL4827684

SCHEMBL4827684

CC(=O)Nc1ccc(NC(C)=O)c2c1CC(OC(C)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8668624 0.83 RXFP1 (0.40) SLC18A3NPC1RAB9AMAPTPOLB
SCHEMBL8670333 0.78 NPC1 (0.47) SLC18A3NPC1RAB9AALDH1A1MEN1
SCHEMBL5154123 0.73 ALDH1A1 (0.42) POLBKDM4EHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL4818024 0.71 ALDH1A1 (0.41) POLBKDM4EHSD17B10ALDH1A1TSHR
SCHEMBL30493000 0.68 FABP7 (0.50) POLBTSHRKMT2A
SCHEMBL1196934 0.68 FABP7 (0.50) POLBTSHRKMT2A
SCHEMBL9797400 0.68 ALDH1A1 (0.48) NPC1RAB9AMAPTPOLBKDM4E
SCHEMBL25604498 0.67 CA1 (0.43) CA1CA2
SCHEMBL1795613 0.66
SCHEMBL1573266 0.66 FABP7 (0.38) SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-7396369-B2 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2008-07-08 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
US-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-01-18 US disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 EP disclosed
EP-1739073-A1 New primary 2,3-disubstituted para-phenylendiamins and their use as oxidative colouring of keratinic fibers L'Oréal (FR) 2007-01-03 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-20070011823-A1 Novel 2,3-disubstituted primary para-phenylenediamines and process for oxidation dyeing of keratin fibers KRT18, VIM, CDC73 SLC18A3 2140/4885NPC1 4126/4885RAB9A 3373/4885

“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.