SCHEMBL5177243

SCHEMBL5177243

Nc1ccc(CNc2ccncc2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ARG1 P05089 1/20 0.49
HDAC1 Q13547 12/20 0.47
HDAC3 O15379 1/20 0.47
ADRA2B P18089 1/20 0.44
F2 P00734 1/20 0.42

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
SCHEMBL5722041 0.83 MAPT (0.53) KDM4EMEN1POLBGAAMAPT
SCHEMBL2990588 0.83 ARG1 (0.56) KDM4EMEN1POLBGAAMAPT
SCHEMBL5721945 0.82 RAB9A (0.56) KDM4EMEN1POLBGAAMAPT
SCHEMBL5176203 0.81 ARG1 (0.46) KDM4EMEN1POLBGAAMAPT
SCHEMBL5176205 0.81 ARG1 (0.46) KDM4EMEN1POLBGAAMAPT
SCHEMBL5175693 0.79 KDM4E (0.52) KDM4EMEN1POLBGAAMAPT
SCHEMBL19242051 0.76 F2 (0.61) KDM4EGAAMAPTRAB9AHDAC1
SCHEMBL5175457 0.76 ALDH1A1 (0.56) KDM4EMEN1POLBGAAMAPT
SCHEMBL5175187 0.75 KDM4E (0.52) KDM4EMEN1POLBGAAMAPT
SCHEMBL5176333 0.75 RAB9A (0.52) KDM4EMEN1POLBGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US claimed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 EP claimed
US-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives PROCTER & GAMBLE COMPANY, THE 2007-01-25 US disclosed
EP-1746088-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives Wella Aktiengesellschaft (DE) 2007-01-24 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-20070017040-A1 2-Amino-5-aminomethyl-phenol derivatives and agent for coloring keratin fibers comprising these derivatives KRT18, ALDH7A1, MKI67 KDM4E 160/4885MEN1 4845/4885POLB 672/4885

“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.