SCHEMBL2932722

SCHEMBL2932722

COCOc1cccc([N+](=O)[O-])c1Br

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.49
TDP1 Q9NUW8 3/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
RECQL P46063 2/20 0.47
KMT2A Q03164 5/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
GBA1 P04062 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL29254173 0.84 ALDH1A1 (0.57) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL12497335 0.83 RAB9A (0.68) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL1059260 0.82 ALDH1A1 (0.67) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL16717646 0.81 ALDH1A1 (0.49) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL12074062 0.80 NPC1 (0.54) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL16507220 0.79 PTPN1 (0.42) SMN1; SMN2L3MBTL1MAPTMAPK1LMNA
SCHEMBL7416930 0.79 ALDH1A1 (0.46) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL23884065 0.77 SGMS2 (0.53) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL30490418 0.77 SGMS2 (0.53) ALDH1A1TDP1RAB9ANPC1RECQL
SCHEMBL16045928 0.76 NPC1 (0.45) ALDH1A1TDP1RAB9ANPC1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1494995-B1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS PROCTER & GAMBLE (US) 2010-09-22 EP disclosed
US-7132001-B2 3-aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AG (DE) 2006-11-07 US disclosed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
EP-1495015-B1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AG (DE) 2006-04-12 EP disclosed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
EP-1495015-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS Wella Aktiengesellschaft (DE) 2005-01-12 EP disclosed
US-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers WELLA AKTIENGESELLSCHAFT (DE) 2004-11-25 US disclosed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US disclosed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO disclosed
WO-2003087084-A1 3-AMINOPHENOL DERIVATIVES AND DYES THAT CONTAIN THESE COMPOUNDS WHILE SERVING TO DYE KERATIN FIBERS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 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 (2 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-20040231064-A1 3-Aminophenol derivatives and dyes that contain these compounds while serving to dye keratin fibers KRT18, JUP, IK ALDH1A1 316/4885TDP1 2673/4885RAB9A 4633/4885
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 ALDH1A1 107/4885TDP1 1942/4885RAB9A 4536/4885

“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.