SCHEMBL7201063

SCHEMBL7201063

O=[N+]([O-])c1ccc(O)c(-c2cccs2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MAPT P10636 3/20 0.59
HTT P42858 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.49
GPR35 Q9HC97 2/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALOX12 P18054 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
ERN1 O75460 2/20 0.45
NPC1 O15118 2/20 0.44

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
SCHEMBL11665288 0.85 PTPRC (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7808231 0.81 ALDH1A1 (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL34475346 0.80 MAPT (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL8692154 0.79 TDP1 (0.47) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10603975 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL11309698 0.79 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL27287105 0.78 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5061932 0.78 EIF4E (0.49) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5008261 0.76 TDP1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
Ethane SCHEMBL28201792 0.76 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US disclosed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US disclosed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP 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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P ALDH1A1 99/4885MEN1 4641/4885KMT2A 2192/4885

“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.