SCHEMBL14199825

SCHEMBL14199825

CC(C)n1ccc(C(C)(C)C)nc1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL12942479 0.75 KDM5A (0.33) KDM5A
SCHEMBL13101099 0.75 DRD2 (0.36) DRD2DRD3
SCHEMBL10643795 0.73 KDM5A (0.33) KDM5A
SCHEMBL784164 0.73 ADORA2A (0.36) KDM5A
SCHEMBL15961006 0.73 DRD2 (0.33) DRD2DRD3
SCHEMBL15032488 0.73 KDM5A (0.35) KDM5A
SCHEMBL11323732 0.73 KDM5A (0.35) KDM5A
SCHEMBL22402385 0.73 KDM4E (0.33)
SCHEMBL18806211 0.71 HCAR3 (0.33)
SCHEMBL22605364 0.70 SMPD3 (0.38) KDM5A

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-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 DRD2 357/4885DRD3 177/4885KDM5A 4200/4885

“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.