SCHEMBL6136842

SCHEMBL6136842

Nc1cc(Cl)c(O)c(-c2cccs2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ATM Q13315 1/20 0.43
ADORA2A P29274 4/20 0.41
RPS6KB2 Q9UBS0 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
TDO2 P48775 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADORA1 P30542 3/20 0.38
TMIGD3 P0DMS9 2/20 0.38
ACLY P53396 1/20 0.37
PIM1 P11309 1/20 0.37
ERN1 O75460 1/20 0.36

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
SCHEMBL7812136 0.83 ALDH1A1 (0.45) NPC1RAB9AATMADORA2AKDM4E
SCHEMBL6136944 0.80 ADORA2A (0.41) NPC1RAB9AATMADORA2ARPS6KB2
SCHEMBL4962984 0.77 CYP3A4 (0.43) NPC1RAB9AATMADORA2AKDM4E
SCHEMBL6136875 0.75 KCNH2 (0.43) NPC1RAB9AATMADORA2ARPS6KB2
SCHEMBL7800711 0.74 NPC1 (0.36) NPC1RAB9AATMADORA2AKDM4E
SCHEMBL6137070 0.74 KDM4E (0.46) THRBNPC1RAB9AATMADORA2A
SCHEMBL9436340 0.73 TTR (0.50) RPS6KB2KDM4EMAPTGAAALDH1A1
SCHEMBL5704962 0.72 RPS6KB2 (0.44) NPC1RAB9AATMADORA2ARPS6KB2
SCHEMBL6573889 0.72 THRB (0.56) THRBALDH1A1HSD17B10HPGDACLY
SCHEMBL6068194 0.72 RPS6KB2 (0.44) NPC1RAB9AATMADORA2ARPS6KB2

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
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP claimed
US-6592631-B2 Useful as developer compounds in oxidation dye compositions for keratin fibers. WELLA AG (DE) 2003-07-15 US claimed
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed
EP-1153917-A1 p-Aminophenol derivatives and colorants containing them Wella Aktiengesellschaft (DE) 2001-11-14 EP claimed
EP-1153917-B1 p-Aminophenol derivatives and colorants containing them WELLA AG (DE) 2005-04-13 EP disclosed
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 THRB 3620/4885NPC1 4698/4885RAB9A 4686/4885

“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.