SCHEMBL5844552

SCHEMBL5844552

N#Cc1cccc(-c2ccc(N)c(O)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.60
SLC22A12 Q96S37 1/20 0.60
CYP3A4 P08684 1/20 0.59
ALOX15 P16050 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MAP4K4 O95819 1/20 0.49
CLK4 Q9HAZ1 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
PTPN5 P54829 1/20 0.46
PGR P06401 4/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 1/20 0.44
EGLN1 Q9GZT9 1/20 0.43
AR P10275 1/20 0.43
PDK2 Q15119 1/20 0.43
APP P05067 1/20 0.42
USP7 Q93009 2/20 0.42

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
SCHEMBL5952080 0.84 MEN1 (0.54) XDHSLC22A12MAP4K4CLK4PTPN5
SCHEMBL5843660 0.84 ALOX15 (0.65) XDHSLC22A12CYP3A4ALOX15HSD17B10
SCHEMBL29488305 0.81 ALOX15 (0.81) CYP3A4ALOX15HSD17B10APP
SCHEMBL16949848 0.81 ALOX15 (0.81) CYP3A4ALOX15HSD17B10APP
SCHEMBL16809161 0.79 ALDH1A1 (0.59) XDHSLC22A12CYP3A4MAP4K4CLK4
SCHEMBL5596077 0.79 ALOX15 (0.50) CYP3A4ALOX15HSD17B10AR
SCHEMBL2154026 0.79 CLK4 (0.65) XDHSLC22A12MAP4K4CLK4PTPN5
Water SCHEMBL7721550 0.79 CYP3A4 (0.94) CYP3A4ALOX15HSD17B10APP
SCHEMBL1143498 0.78 MAP4K4 (0.54) XDHSLC22A12CYP3A4HSD17B10MAP4K4
SCHEMBL322948 0.78 MMP3 (0.63) XDHSLC22A12CYP3A4CLK4HDAC8

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-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US claimed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP claimed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US claimed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 WO claimed
US-7122061-B2 Agents for dyeing keratin fibers, containing 4-aminobiphenyl-3-ol-derivatives WELLA AG (DE) 2006-10-17 US disclosed
EP-1562539-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES Wella Aktiengesellschaft (DE) 2005-08-17 EP disclosed
US-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 2005-07-21 US disclosed
WO-2004041226-A1 AGENTS FOR DYEING KERATIN FIBERS, CONTAINING 4-AMINO-BIPHENYL-3-OL-DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2004-05-21 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-20050155160-A1 Agents for dyeing keratin fibers, containing 4-amino-biphenyl-3-ol-derivatives KRT18, CBR3, CCNB3 XDH 2677/4885SLC22A12 2787/4885CYP3A4 835/4885

“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.