SCHEMBL4958677

SCHEMBL4958677

CN(C(N)=O)C(=O)[CH]Cc1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
F7 P08709 1/20 0.39
PSMB5 P28074 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MC4R P32245 2/20 0.39
MC3R P41968 1/20 0.39
AOC3 Q16853 1/20 0.38
MC5R P33032 1/20 0.38

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
SCHEMBL3136211 0.82 NPC1 (0.40) AOC3
SCHEMBL6244522 0.81 CYP1A2 (0.38) CYP1A2CYP2A6F2F10F7
SCHEMBL6019534 0.80 CYP1A2 (0.38) CYP1A2CYP2A6F2F10F7
SCHEMBL4955729 0.77 CA2 (0.43)
SCHEMBL4091934 0.76 TRPA1 (0.44) PYCR1CYP1A2AOC3
SCHEMBL4958583 0.76 ALDH1A1 (0.41) PYCR1CYP1A2AOC3
SCHEMBL6020719 0.75 CYP1A2 (0.36) CYP1A2F2F10F7PSMB5
SCHEMBL5966615 0.74 PDPK1 (0.43) CYP1A2CYP2A6MC4RMC5R
SCHEMBL8100509 0.73 GHSR (0.45) F2PSMB5MMP9MMP8
SCHEMBL3133352 0.73 ALDH1A1 (0.39) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323448-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2008-01-29 US disclosed
US-7148198-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2006-12-12 US disclosed
US-20060276409-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2006-12-07 US disclosed
US-20050014702-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-01-20 US disclosed
US-6787522-B2 BACTERIAL POLYPEPTIDE DEFORMYLASE (PDF) INHIBITORS, N-FORMYL HYDROXYLAMINE DERIVATIVES BRITISH BIOTECH PHARMACEUTICALS (GB) 2004-09-07 US disclosed
EP-1052984-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2004-05-12 EP disclosed
US-6423690-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2002-07-23 US 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-20060276409-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 PYCR1 381/4885CYP1A2 1257/4885CYP2A6 334/4885
US-20050014702-A1 Antibacterial agents CBR3, CBR1, SIGMAR1 PYCR1 381/4885CYP1A2 1257/4885CYP2A6 334/4885

“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.