SCHEMBL5693194

SCHEMBL5693194

Nc1ccc(Oc2cccnc2Oc2ccc(N)cc2N)c(N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
CASP1 P29466 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
CASP7 P55210 1/20 0.44
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APAF1 O14727 1/20 0.37
SLC6A4 P31645 3/20 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
SCHEMBL8464915 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5707641 0.78 ALDH1A1 (0.46) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL30462573 0.78 ALDH1A1 (0.52) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL4532343 0.78 ALDH1A1 (0.52) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL599354 0.76 GAA (0.50) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL27746114 0.75 ALDH1A1 (0.44) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL23581678 0.74 ALDH1A1 (0.50) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL5317178 0.74 ALDH1A1 (0.50) ALDH1A1CASP1KDM4ETP53MAPT
SCHEMBL8515345 0.74 MEN1 (0.58) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27734367 0.74 CASP1 (0.47) ALDH1A1CASP1KDM4ETP53MAPT

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-1357889-B1 NOVELS COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2006-04-05 EP disclosed
EP-1357889-A4 NOVELS COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P & G CLAIROL INC (US) 2004-12-01 EP disclosed
US-6693196-B2 BIS(2,4-DIAMINOPHENOXY)PYRIDINES AND PYRIMIDINES THE PROCTER & GAMBLE COMPANY 2004-02-17 US disclosed
EP-1357889-A1 NOVELS COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P&G-Clairol, Inc. (US) 2003-11-05 EP disclosed
US-20030061667-A1 Novel couplers for use in oxidative hair dyeing WELLA OPERATIONS US, LLC 2003-04-03 US disclosed
WO-2002060400-A1 NOVELS COUPLERS FOR USE IN OXIDATIVE HAIR DYEING P&G-CLAIROL, INC. (US) 2002-08-08 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-20030061667-A1 Novel couplers for use in oxidative hair dyeing PYCR1, MT-CO3, MT-CO1 ALDH1A1 133/4885CASP1 848/4885KDM4E 1617/4885

“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.