SCHEMBL5685446

SCHEMBL5685446

Nc1ccc(-c2cc(C(F)(F)F)ccn2)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.50
NOS2 P35228 1/20 0.50
KDM4C Q9H3R0 2/20 0.44
KDM1A O60341 3/20 0.43
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KIF11 P52732 1/20 0.37
ADRB1 P08588 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PTGS1 P23219 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
MPL P40238 1/20 0.36
CDC7 O00311 1/20 0.35

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
SCHEMBL7089225 0.83 NOS3 (0.51) NOS3NOS2KDM4CKDM1AFEN1
SCHEMBL322548 0.81 HSD17B10 (0.50) NOS3NOS2KDM1ATSHRPOLB
SCHEMBL5688107 0.79 KDM1A (0.52) KDM4CKDM1ATSHRGAANPC1
SCHEMBL5684985 0.78 FEN1 (0.47) KDM1AALOX5APFEN1TSHRGLA
SCHEMBL24168950 0.77 NOS3 (0.56) NOS3NOS2KDM1AALOX5APFEN1
SCHEMBL5685612 0.77 CCR1 (0.55) NOS3NOS2KDM4CKDM1ATSHR
SCHEMBL5685547 0.76 KDM4C (0.48) KDM4CKDM1ATSHRGAAMAPK1
Hydrochloric Acid SCHEMBL5688057 0.76 CCR1 (0.53) NOS3NOS2KDM4CKDM1ATSHR
SCHEMBL810884 0.75 NOS3 (0.61) NOS3NOS2KDM4CTSHRGAA
SCHEMBL18224078 0.75 LOXL2 (0.50) NOS3NOS2ALOX5APFEN1

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
US-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 NOS3 371/4885NOS2 1409/4885KDM4C 74/4885

“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.