SCHEMBL5852297

SCHEMBL5852297

Nc1ccc(OCCCOc2ccc(N)cc2N)c(N)c1.Nc1ccc(OCOc2ccc(N)cc2N)c(N)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
MAPT P10636 3/20 0.65
USP2 O75604 3/20 0.65
CASP1 P29466 3/20 0.65
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
TP53 P04637 1/20 0.65
POLB P06746 1/20 0.65
HTT P42858 1/20 0.65
CASP7 P55210 1/20 0.65
ATM Q13315 1/20 0.65
PRSS1 P07477 9/20 0.51
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL34160 0.94 GAA (0.71) GAAKDM4EALDH1A1MAPTUSP2
Hydrochloric Acid SCHEMBL1426505 0.92 GAA (0.75) GAAKDM4EALDH1A1MAPTUSP2
Hydrochloric Acid SCHEMBL3421592 0.92 GAA (0.75) GAAKDM4EALDH1A1MAPTUSP2
Hydrochloric Acid SCHEMBL30994761 0.92 GAA (0.75) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL455466 0.92 GAA (0.62) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL11218926 0.90 GAA (0.71) GAAKDM4EALDH1A1MAPTUSP2
Hydrochloric Acid SCHEMBL11225965 0.90 GAA (0.66) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL11225049 0.88 GAA (0.69) GAAKDM4EALDH1A1MAPTUSP2
Hydrochloric Acid SCHEMBL11233537 0.88 GAA (0.75) GAAKDM4EALDH1A1MAPTUSP2
SCHEMBL11221321 0.88 GAA (0.69) GAAKDM4EALDH1A1MAPTUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286953-B1 (P-AMINO-HYDROXYPHENYL)-ACRYLAMIDE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AG (DE) 2004-02-18 EP claimed
US-6342078-B1 OXIDATION COLOR DYES FOR HAIR WITH METAPHENYLENEDIAMINE COUPLERS L'OREAL, S. A. (FR) 2002-01-29 US claimed
US-6997961-B2 N-heteroarylmethyl-m-phenylenediamine derivatives-containing dyes for keratin fibers and novel n-heteroarylmethyl-m-phenylenediamine derivatives WELLA AG (DE) 2006-02-14 US disclosed
US-6749644-B2 DEVELOPER AND COUPLER; WIDE RANGE OF DIFFERENT COLOR SHADES FROM BLOND TO BROWN, PURPLE, VIOLET AND EVEN BLUE AND BLACK; INTENSITY WELLA AKTIENGESELLSCHAFT (DE) 2004-06-15 US disclosed
US-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2002-11-14 US disclosed
US-6379400-B1 DYEING FIBERS, SOLVENT OF WATER OR ALCOHOL AND NITROANILINE DYE WELLA AKTIENGESELLSCHAFT (DE) 2002-04-30 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-20020166180-A1 2-hydroxy-5-amino-biphenyl-derivatives and oxidative hair colouring agents containing said compounds AHR, KRT18, HMOX2 GAA 4440/4885KDM4E 396/4885ALDH1A1 20/4885

“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.