SCHEMBL6068115

SCHEMBL6068115

O=[N+]([O-])c1csc(-c2ccc(O)cc2O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 2/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HPGD P15428 2/20 0.39
GAA P10253 2/20 0.39
RUNX1 Q01196 1/20 0.39
CBFB Q13951 1/20 0.39
GPR35 Q9HC97 2/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL5705069 0.86 ALOX15 (0.47) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL5575054 0.80 HSD17B1 (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6136824 0.77 ALOX15 (0.49) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6067941 0.75 TSHR (0.44) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL6067967 0.75 MEN1 (0.43) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6871805 0.73 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL6068096 0.73 LMNA (0.56) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6067907 0.72 ESR2 (0.43) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6068179 0.70 TYR (0.51) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL6068199 0.70 ESR2 (0.46) ALDH1A1MEN1KMT2AMAPTHTT

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 5 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
EP-1392673-B1 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-06-08 EP 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 ALDH1A1 34/4885MEN1 3850/4885KMT2A 2168/4885

“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.