SCHEMBL4846701

SCHEMBL4846701

O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.74
KMT2A Q03164 8/20 0.74
MAPT P10636 5/20 0.74
ALDH1A1 P00352 5/20 0.74
POLB P06746 3/20 0.74
NPSR1 Q6W5P4 2/20 0.74
HTT P42858 2/20 0.74
LMNA P02545 1/20 0.74
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
HSP90AA1 P07900 2/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.49
EGFR P00533 1/20 0.46
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PLAU P00749 1/20 0.41

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
SCHEMBL28515018 1.00 MEN1 (0.74) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL29653722 1.00 MEN1 (0.74) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1289511 0.85 MAPT (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL29366468 0.85 MAPT (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL1289510 0.85 MAPT (1.00) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4842633 0.85 ALDH1A1 (0.53) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL13758730 0.81 MAPT (0.86) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL8538545 0.81 MAPT (0.70) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL5305524 0.81 MAPT (0.70) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL4278062 0.81 MAPT (0.70) MEN1KMT2AMAPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 US claimed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US claimed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP claimed
CN-112375168-B Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2022-03-29 CN disclosed
CN-112375168-A Side chain rod-shaped polar liquid crystal polymer, preparation method thereof and application thereof in nonlinear optical field 华南理工大学 2021-02-19 CN disclosed
CN-112342032-A Rod-like polar liquid crystal molecule, preparation method thereof and rod-like polar nematic liquid crystal 华南理工大学 2021-02-09 CN disclosed
US-20080139795-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-06-12 US disclosed
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 US disclosed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 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 (2 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-20080139795-A1 Preparation of halogenated 4-aminophenols CYP4X1, CYP4B1, PAH MEN1 4335/4885KMT2A 530/4885MAPT 2846/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 MEN1 4163/4885KMT2A 341/4885MAPT 3095/4885

“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.