SCHEMBL10031317

SCHEMBL10031317

COc1ccc(Cc2c(OC(C)(C)C)nn(C(C)C)c2C)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.36
CHRM4 P08173 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PDE2A O00408 6/20 0.35
SLC5A1 P13866 1/20 0.35
SLC5A2 P31639 1/20 0.35
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DBH P09172 1/20 0.34
CACNA1H O95180 2/20 0.34
KCNH2 Q12809 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX3 P56373 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
SCHEMBL10031316 0.88 SLC5A1 (0.37) SLC5A1SLC5A2KCNH2TMEM97SIGMAR1
SCHEMBL10064335 0.86 CHRM4 (0.38) CYP17A1CHRM4SMN1; SMN2NPC1RAB9A
SCHEMBL14285952 0.80 SLC5A1 (0.43) SLC5A1SLC5A2P2RX3
SCHEMBL14285953 0.76 SLC5A2 (0.41) SLC5A1SLC5A2P2RX3
SCHEMBL10031310 0.76 SLC5A1 (0.56) SMN1; SMN2SLC5A1SLC5A2ALDH1A1L3MBTL1
SCHEMBL2044343 0.75 SLC5A2 (0.69) SLC5A1SLC5A2
SCHEMBL3772131 0.75 SLC5A2 (0.69) SLC5A1SLC5A2
SCHEMBL13446339 0.75 SLC5A2 (0.69) SLC5A1SLC5A2
SCHEMBL3772126 0.74 SLC5A2 (0.47) SLC5A1SLC5A2
SCHEMBL10064334 0.73 PDE1A (0.38) SMN1; SMN2NPC1RAB9ASLC5A1SLC5A2

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-20120053330-A1 Chemical Process GLAXOSMITHKLINE LLC 2012-03-01 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-20120053330-A1 Chemical Process SLC5A2, SLC5A1, UGGT1 CYP17A1 1093/4885CHRM4 3922/4885SMN1; SMN2 4412/4885

“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.