SCHEMBL10107524

SCHEMBL10107524

CCCCOc1cncc(C)c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 5/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 3/20 0.38
ATM Q13315 2/20 0.38
CASP1 P29466 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL10107525 0.84 PDE4A (0.51) NPC1RAB9ATSHRTP53GAA
SCHEMBL6128440 0.81 LMNA (0.49) NPC1TSHRHPGDALDH1A1MAPT
SCHEMBL10107491 0.77 NPC1 (0.43) NPC1RAB9ATSHRTP53GAA
SCHEMBL10101799 0.76 MAPT (0.47) RAB9AGAAL3MBTL1TDP1HPGD
SCHEMBL5333059 0.76 ESR1 (0.43) GAAHTTL3MBTL1ALDH1A1NPSR1
SCHEMBL15871998 0.73 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL15831705 0.73 RAB9A (0.40) NPC1RAB9ATSHRTP53GAA
SCHEMBL10084150 0.72 THRB (0.52) NPC1RAB9APDE4AKDM4EHPGD
SCHEMBL6128444 0.72 PDE4A (0.47) TSHRTP53PDE4APDE4BPDE4C
SCHEMBL15374833 0.71 PDE4A (0.45) NPC1RAB9ATSHRPDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 US disclosed
WO-2010129055-A1 8-AZA TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 NPC1 2279/4885RAB9A 682/4885TSHR 1184/4885

“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.