SCHEMBL2937801

SCHEMBL2937801

Nc1cccc(O)c1-c1cncc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.39
CYP11B2 P19099 3/20 0.37
ALOX15 P16050 2/20 0.35
TSHR P16473 1/20 0.35
HDAC4 P56524 1/20 0.35
PTK2 Q05397 1/20 0.35
HTT P42858 1/20 0.35
CYP11B1 P15538 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
TNIK Q9UKE5 1/20 0.32
PDPK1 O15530 1/20 0.32

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
SCHEMBL2937933 0.81 MKNK1 (0.43) CYP11B2ALOX15TSHRCYP11B1IDO1
SCHEMBL2936145 0.81 CYP2A6 (0.39) CYP2A6CYP11B2ALOX15TSHRCYP11B1
SCHEMBL2939336 0.80 IKBKB (0.45) ALOX15TSHRHTTMEN1KMT2A
SCHEMBL2936855 0.78 ALOX15 (0.41) CYP2A6ALOX15TSHRMEN1KMT2A
SCHEMBL2931704 0.75 ALOX15 (0.43) ALOX15TSHRHTTMEN1KMT2A
SCHEMBL2935125 0.75 GAA (0.43) ALOX15TSHRIDO1
SCHEMBL2936656 0.75 MKNK1 (0.49) CYP2A6CYP11B2ALOX15PTK2HTT
SCHEMBL2935615 0.74 ALDH1A1 (0.37) ALOX15TSHRHTTMEN1KMT2A
SCHEMBL22554321 0.73 CYP2A6 (0.41) CYP2A6CYP11B2ALOX15HDAC4PTK2
Hydrochloric Acid SCHEMBL2939932 0.73 MKNK1 (0.47) CYP2A6CYP11B2ALOX15PTK2HTT

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 12 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 claimed
US-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US claimed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN claimed
EP-1494995-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS Wella Aktiengesellschaft (DE) 2005-01-12 EP claimed
US-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2004-07-29 US claimed
WO-2003087034-A1 3-AMINOPHENOL DERIVATIVES SUBSTITUTED IN THE 2-POSITION, AND DYES CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2003-10-23 WO claimed
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-7033401-B2 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds WELLA AG (DE) 2006-04-25 US disclosed
CN-1646478-A 3-aminophenol derivatives substituted in the 2-position and colorants comprising the same P & G CLAIROL INC (US) 2005-07-27 CN 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
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

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-20040147515-A1 3-Aminophenol derivatives substituted in the 2-position, and dyes containing these compounds ALPP, TYR, RB1 CYP2A6 321/4885CYP11B2 135/4885ALOX15 3697/4885

“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.