SCHEMBL4843763

SCHEMBL4843763

Nc1c(F)cc(O)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.50
CA9 Q16790 4/20 0.50
CA2 P00918 3/20 0.50
TAAR1 Q96RJ0 1/20 0.41
ADRB2 P07550 9/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CA12 O43570 1/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 2/20 0.36
ALOX5 P09917 1/20 0.34
PTGS2 P35354 1/20 0.34
GSK3B P49841 1/20 0.33
CA3 P07451 1/20 0.33

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
SCHEMBL3367027 0.82 TAAR1 (0.50) CA1CA9CA2TAAR1HDAC1
SCHEMBL1128268 0.82 GAA (0.58) CA1CA9CA2GAAMAPT
SCHEMBL7896733 0.80 GAA (0.43) CA1CA9CA2TAAR1GAA
SCHEMBL78688 0.75 CA1 (0.54) CA1CA9CA2ADRB2GAA
SCHEMBL27434588 0.75 TAAR1 (0.44) CA1CA9CA2TAAR1ADRB2
SCHEMBL31248929 0.75 TAAR1 (0.39) CA1CA9CA2TAAR1CA12
SCHEMBL1639935 0.75 CA1 (0.54) CA1CA9CA2ADRB2GAA
Hydrochloric Acid SCHEMBL7131081 0.73 CA1 (0.52) CA1CA9CA2ADRB2GAA
Bromide SCHEMBL7131565 0.73 CA1 (0.52) CA1CA9CA2ADRB2GAA
SCHEMBL23927494 0.71 ALOX5 (0.39) CA1CA9TAAR1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7358397-B2 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2008-04-15 US claimed
US-20050143425-A1 Preparation of halogenated 4-aminophenols LANXESS DEUTSCHLAND GMBH (DE) 2005-06-30 US claimed
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 CN 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
CN-1616412-A Process for the preparation of halogen containing 4-amino phenols BAYER CHEMICALS AG (DE) 2005-05-18 CN 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 CA1 4498/4885CA9 3160/4885CA2 3712/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 CA1 4576/4885CA9 2664/4885CA2 3410/4885

“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.