SCHEMBL6067967

SCHEMBL6067967

O=[N+]([O-])c1csc(-c2cc(O)cc(O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ALDH1A1 P00352 5/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALOX15 P16050 2/20 0.39
TSHR P16473 2/20 0.39
CYP19A1 P11511 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PELI1 Q96FA3 3/20 0.36
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
APP P05067 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
GPR35 Q9HC97 3/20 0.34

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
SCHEMBL5575054 0.84 HSD17B1 (0.47) MEN1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL22157992 0.76 ALDH1A1 (0.48) MEN1KMT2AALDH1A1RAB9ATSHR
SCHEMBL6068115 0.75 ALDH1A1 (0.47) MEN1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL27994436 0.74 APP (0.55) PTGS1PTGS2ALDH1A1RAB9AALOX15
SCHEMBL1457080 0.72
SCHEMBL6067941 0.72 TSHR (0.44) MEN1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL9265700 0.71 ALDH1A1 (0.60) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL69389 0.71 ALDH1A1 (0.60) MEN1KMT2APTGS1PTGS2ALDH1A1
SCHEMBL5705069 0.70 ALOX15 (0.47) MEN1KMT2AALDH1A1RAB9ANPSR1
SCHEMBL6067916 0.69 PTGS1 (0.59) MEN1KMT2APTGS1PTGS2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN disclosed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US disclosed
CN-1633426-A 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2005-06-29 CN disclosed
US-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-01-29 US 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-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds KRT18, DSP, COL1A1 MEN1 3850/4885KMT2A 2168/4885PTGS1 869/4885

“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.