SCHEMBL4842633

SCHEMBL4842633

O=[N+]([O-])c1cccc(N=Nc2ccc(O)cc2F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
MAPT P10636 6/20 0.53
NPSR1 Q6W5P4 3/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
TSHR P16473 2/20 0.51
ALOX15 P16050 1/20 0.51
IDO1 P14902 1/20 0.48
MAPK1 P28482 1/20 0.45
CCNT1 O60563 1/20 0.44
CCNE2 O96020 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44
CDK9 P50750 1/20 0.44
NPC1 O15118 2/20 0.44

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
SCHEMBL13390226 0.86 ALDH1A1 (0.72) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL4846701 0.85 MEN1 (0.74) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL29653722 0.85 MEN1 (0.74) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL28515018 0.85 MEN1 (0.74) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL8142961 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL8142959 0.81 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL1405487 0.79 TSHR (0.67) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL1405486 0.79 TSHR (0.67) ALDH1A1MEN1KMT2AMAPTNPSR1
Formaldehyde SCHEMBL27032696 0.79 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTNPSR1
SCHEMBL4849320 0.76 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTNPSR1

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 8 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
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 ALDH1A1 569/4885MEN1 4335/4885KMT2A 530/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 ALDH1A1 956/4885MEN1 4163/4885KMT2A 341/4885

“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.