SCHEMBL4239909

SCHEMBL4239909

CC(C)(C)CNc1nc2ccc(F)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
ALPL P05186 1/20 0.44
ALPI P09923 1/20 0.44
ALPG P10696 1/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GFER P55789 1/20 0.44
HIF1A Q16665 1/20 0.44
MPO P05164 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TCF4 P15884 1/20 0.42
CTNNB1 P35222 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 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
SCHEMBL12933377 0.78 BCHE (0.60) RAB9ASMN1; SMN2LMNAALDH1A1TP53
SCHEMBL9979367 0.78 ALPL (0.51) IDO1ALPLALPIALPGMPO
SCHEMBL12932937 0.77 PDE10A (0.42) RAB9AHTTALDH1A1CYP1A2CYP2D6
SCHEMBL10220066 0.71 ALDH1A1 (0.56) IDO1ALPLALPIALPGSMN1; SMN2
SCHEMBL16188967 0.71 IDO1 (0.60) IDO1ALPLALPIALPGSMN1; SMN2
SCHEMBL10318988 0.69 CYP3A4 (0.63) IDO1ALPLALPIALPGRAB9A
SCHEMBL12755406 0.69 SCN10A (0.54) RIPK1POLBMETAP2
SCHEMBL7590755 0.69 ALDH1A1 (0.61) IDO1ALPLALPIALPGRAB9A
SCHEMBL29438978 0.69 ALDH1A1 (0.61) IDO1ALPLALPIALPGRAB9A
SCHEMBL10271748 0.68 IDO1 (0.66) IDO1ALPLALPIALPGHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069322-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE FORMYLASE FOR TREATING MICROBIAL INFECTIONS BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2009-03-12 US disclosed
US-7173053-B2 N-formyl hydroxylamine derivatives as inhibitors of bacterial polypeptide formylase for treating microbial infections BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2007-02-06 US disclosed
EP-1339400-B1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE DEFORMYLASE FOR TREATING MICROBIAL INFECTIONS VERNALIS OXFORD LTD (GB) 2005-06-29 EP disclosed
US-20040106666-A1 Hydroxamic acid or n-formyl hydroxylamine derivatives as inhibitors of bakterial polypeptide deformylase for treating microbial infections BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2004-06-03 US disclosed
EP-1339400-A1 HYDROXAMIC ACID OR N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE DEFORMYLASE FOR TREATING MICROBIAL INFECTIONS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2003-09-03 EP disclosed
WO-2002041886-A1 YDROXAMIC ACID OR N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BAKTERIAL POLYPEPTIDE DEFORMYLASE FOR TREATING MICROBIAL INFECTIONS BRITISH BIOTECH PHARMACEUTICALS LTD (GB) 2002-05-30 WO 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-20090069322-A1 N-FORMYL HYDROXYLAMINE DERIVATIVES AS INHIBITORS OF BACTERIAL POLYPEPTIDE FORMYLASE FOR TREATING MICROBIAL INFECTIONS FPR1, FPR3, FPR2 IDO1 111/4885ALPL 4140/4885ALPI 2602/4885
US-20040106666-A1 Hydroxamic acid or n-formyl hydroxylamine derivatives as inhibitors of bakterial polypeptide deformylase for treating microbial infections HNMT, ALKBH1, BAK1 IDO1 887/4885ALPL 3507/4885ALPI 2053/4885

“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.