SCHEMBL1190630

SCHEMBL1190630

CN1CC=CC[C@H](N)C1=O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.32
AADAT Q8N5Z0 1/20 0.31
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8241554 1.00 NPSR1 (0.32) NPSR1AADATTSHRCYP3A4TDP1
Hydrochloric Acid SCHEMBL1190305 0.98 NPSR1 (0.32) NPSR1AADAT
SCHEMBL555785 0.83
SCHEMBL3118096 0.77 CYP3A4 (0.47) AADATTSHRCYP3A4TDP1MAPT
SCHEMBL18818961 0.76 NPSR1 (0.33) NPSR1TSHRCYP3A4ALDH1A1POLB
SCHEMBL13341983 0.71 ALDH1A1 (0.32) NPSR1TSHRCYP3A4ALDH1A1HSD17B10
SCHEMBL12495014 0.70 MEN1 (0.41) AADATTSHRTDP1MAPTALDH1A1
SCHEMBL12495020 0.70 MEN1 (0.41) AADATTSHRTDP1MAPTALDH1A1
SCHEMBL11116966 0.69
SCHEMBL8297540 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7893056-B2 Peptide deformylase inhibitors GLAXOSMITHKLINE LLC (US) 2011-02-22 US disclosed
US-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS GLAXOSMITHKLINE LLC 2009-12-10 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 (1 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-20090306066-A1 PEPTIDE DEFORMYLASE INHIBITORS PDF, DHPS, PADI3 NPSR1 2601/4885AADAT 2617/4885TSHR 3052/4885

“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.