SCHEMBL12377784

SCHEMBL12377784

CCc1nc(C(=O)OC)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
TARBP2 Q15633 7/20 0.41
PDCD4 Q53EL6 1/20 0.41
ALDH1A1 P00352 3/20 0.39
FBP1 P09467 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PKM P14618 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL18781806 0.86 NPSR1 (0.44) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL14132692 0.86 TARBP2 (0.44) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL17162432 0.84 NPSR1 (0.45) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL14132996 0.84 NPSR1 (0.48) NPSR1TARBP2ALDH1A1FBP1L3MBTL1
SCHEMBL28352773 0.83 NPSR1 (0.44) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL18781801 0.81 NPSR1 (0.42) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL17725618 0.81 NPSR1 (0.39) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL9917050 0.79 HCAR2 (0.39) TARBP2PDCD4FBP1KDM4EHCRTR1
SCHEMBL9917051 0.78 HCRTR1 (0.48) NPSR1TARBP2PDCD4ALDH1A1FBP1
SCHEMBL17725616 0.78 NPSR1 (0.39) NPSR1TARBP2PDCD4ALDH1A1FBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311835-A1 NOVEL ANTIBIOTICS NOVOBIOTIC PHARMACEUTICALS LLC (US) 2016-10-27 US disclosed
US-20120302613-A1 NOVEL ANTIBIOTICS NOVOBIOTIC PHARMACEUTICALS LLC (US) 2012-11-29 US disclosed
US-7998954-B2 Pyrimidodiazepinone derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-16 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-20120302613-A1 NOVEL ANTIBIOTICS NRDC, TREH, MRPL21 NPSR1 3592/4885TARBP2 3526/4885PDCD4 2589/4885
US-20160311835-A1 NOVEL ANTIBIOTICS NRDC, TREH, MRPL21 NPSR1 3592/4885TARBP2 3526/4885PDCD4 2589/4885

“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.