SCHEMBL5176296

SCHEMBL5176296

Nc1ccc(CNc2ncccc2Br)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
PKM P14618 1/20 0.39
CASP6 P55212 4/20 0.37
EGFR P00533 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ARG1 P05089 1/20 0.36
BACE1 P56817 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
SCHEMBL5174346 0.84 KDM4E (0.42) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5175198 0.84 KDM4E (0.51) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5174762 0.83 MAPT (0.45) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5176748 0.81 MAPT (0.58) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5175693 0.81 KDM4E (0.52) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5176689 0.80 KDM4E (0.44) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5174945 0.78 GAA (0.45) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5175851 0.76 CXCR4 (0.63) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5174651 0.76 BACE1 (0.44) KDM4EMAPTKMT2AMEN1POLB
SCHEMBL5175577 0.74 RAB9A (0.50) KDM4EMAPTKMT2AMEN1POLB

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 160/4885MAPT 1080/4885KMT2A 784/4885

“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.