SCHEMBL13744237

SCHEMBL13744237

CC1CNC(c2ccc(NC(=O)C3=C(O)C(CCc4ccccc4)NC3=O)cc2)=N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR0B1 P51843 1/20 0.36
ROCK2 O75116 4/20 0.35
ROCK1 Q13464 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MGAT2 Q10469 3/20 0.34
KIT P10721 1/20 0.34
PDGFRA P16234 1/20 0.34
KDR P35968 1/20 0.34
RPS6KA3 P51812 2/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
RPS6KA6 Q9UK32 1/20 0.33
MMP1 P03956 3/20 0.33
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33
MMP9 P14780 3/20 0.33
MMP8 P22894 3/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL4241046 0.84 DEGS1 (0.42) NR0B1ROCK2ROCK1KDR
SCHEMBL13744417 0.78 POLB (0.43) NR0B1MEN1ALDH1A1KMT2APOLB
SCHEMBL13743845 0.78 MEN1 (0.47) NR0B1MEN1ALDH1A1KMT2APOLB
SCHEMBL13743228 0.77 HDAC1 (0.50) KDRMEN1ALDH1A1KMT2APOLB
SCHEMBL13743377 0.77 HPGDS (0.39) KDRMMP2MMP9MMP8MEN1
SCHEMBL13744231 0.76 MGLL (0.44) ROCK2MEN1ALDH1A1KMT2APOLB
SCHEMBL13744096 0.76 NPC1 (0.38) NR0B1MMP1MMP2MMP3MMP9
SCHEMBL13752778 0.76 ROCK2 (0.38) NR0B1ROCK2ALDH1A1
SCHEMBL13743921 0.76 DEGS1 (0.46) KDRALDH1A1
SCHEMBL13744095 0.76 RAB9A (0.40) MMP1MMP2MMP3MMP9MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-08-13 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-20090203694-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 NR0B1 2001/4885ROCK2 4337/4885ROCK1 4029/4885

“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.