SCHEMBL4847829

SCHEMBL4847829

Nc1cc(Br)c(O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
ALOX15 P16050 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CYP3A4 P08684 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 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
SCHEMBL5453603 0.91 CA9 (0.38) CA9CA1CA2CA6CA5A
SCHEMBL741941 0.81 ALDH1A1 (0.37) CA9CA1CA2CA12ALOX15
SCHEMBL30193870 0.81 ALDH1A1 (0.37) CA9CA1CA2CA12ALOX15
SCHEMBL1266166 0.79 ALOX15 (0.42) CA9CA1CA2CA6CA5A
SCHEMBL27427442 0.79 ALOX15 (0.42) CA9CA1CA2CA6CA5A
Hydrochloric Acid SCHEMBL16893994 0.79 KDM4E (0.35) CA9CA1CA2CA12ALOX15
SCHEMBL350192 0.77 ALDH1A1 (0.40) CA9CA1CA2CA6CA5A
SCHEMBL1529272 0.77 ALDH1A1 (0.46) CA9CA1CA2CA6CA5A
SCHEMBL29703386 0.77 ALDH1A1 (0.46) CA9CA1CA2CA6CA5A
SCHEMBL139113 0.77 CA6 (0.40) CA9CA1CA2CA6CA5A

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 15 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
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
EP-1514865-A1 Process for the preparation of halogen containing 4-amino phenols Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-5132325-A BENZOYLPHENYLUREAS THE PREPARATION THEREOF AND THE USE THEREOF IN PEST CONTROL CIBA-GEIGY CORPORATION (US) 1992-07-21 US disclosed
EP-0235089-B1 N-BENZOYL-N'-PHENYL UREAS, THEIR PREPARATION AND THEIR USE AGAINST PESTS CIBA-GEIGY AG (CH) 1991-11-21 EP disclosed
EP-0432135-A1 Intermediates for benzoylphenyl ureas CIBA-GEIGY AG (CH) 1991-06-12 EP disclosed
CN-87100956-A The preparation method of N-benzoyl-N '-phenyl ureas 1987-09-09 CN disclosed
EP-0235089-A2 N-benzoyl-N'-phenyl ureas, their preparation and their use against pests CIBA-GEIGY AG (CH) 1987-09-02 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 CA9 3160/4885CA1 4498/4885CA2 3712/4885
US-20050143425-A1 Preparation of halogenated 4-aminophenols CYP4X1, HPD, CYP4F8 CA9 2664/4885CA1 4576/4885CA2 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.