SCHEMBL12379310

SCHEMBL12379310

CCCCONC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(C(=O)NCCCN)cc2)cc1)[C@@H](C)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.43
PPARA Q07869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41
DRD3 P35462 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL12379309 0.87 PPARG (0.39) PPARGPPARASMN1; SMN2LMNAMAPK1
SCHEMBL12361260 0.84 BRD4 (0.46) SMN1; SMN2DRD2DRD4DRD3L3MBTL1
SCHEMBL1105494 0.84 ANPEP (0.44) PPARGSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL404699 0.80 PPARG (0.46) PPARGLMNAMAPK1ALDH1A1
SCHEMBL1109433 0.80 HDAC1 (0.46) PPARGSMN1; SMN2DRD2DRD4DRD3
SCHEMBL1109156 0.78 PPARG (0.39) PPARGPPARASMN1; SMN2DRD2DRD4
SCHEMBL14400807 0.77 CYP1A2 (0.47) PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL1109349 0.77 CYP1A2 (0.47) PPARGSMN1; SMN2NPC1RAB9A
SCHEMBL1109158 0.77 PPARG (0.47) PPARGPPARAHRH3NPC1RAB9A
SCHEMBL9925890 0.76 MAPK8 (0.40) SMN1; SMN2DRD2DRD4DRD3ALDH1A1

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-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885PPARA 1684/4885SMN1; SMN2 2296/4885

“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.