SCHEMBL10107491

SCHEMBL10107491

CCCCOc1cnc(Br)c(C)c1C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 4/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
CRHBP P24387 1/20 0.37
MAPK1 P28482 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL13075016 0.86 KDM4E (0.39) NPC1RAB9ATSHRTP53GAA
SCHEMBL10107472 0.82 LMNA (0.44) NPC1TSHRL3MBTL1MAPK1KMT2A
SCHEMBL15831705 0.79 RAB9A (0.40) NPC1RAB9ATSHRTP53GAA
SCHEMBL10101802 0.77 MAPT (0.45) RAB9ATP53GAATDP1L3MBTL1
SCHEMBL10107524 0.77 NPC1 (0.42) NPC1RAB9ATSHRTP53GAA
SCHEMBL10107525 0.73 PDE4A (0.51) NPC1RAB9ATSHRTP53GAA
SCHEMBL24746347 0.73 KDM4E (0.38) TSHRTP53GAAHTTKDM4E
SCHEMBL10107512 0.71 NPC1 (0.40) NPC1RAB9AGAAHTTL3MBTL1
SCHEMBL13215458 0.70 ALPL (0.42) GAAKDM4EKMT2AMAPTALPL
SCHEMBL10107523 0.70 PPARA (0.38) NPC1RAB9ATSHRTP53KDM4E

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.