SCHEMBL10107512

SCHEMBL10107512

CCCCOc1c([N+](=O)[O-])nc(Br)c(C)c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 5/20 0.37
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
S1PR4 O95977 1/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 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
SCHEMBL13074721 0.88 THRA (0.39) NPC1RAB9AMAPTHTTALDH1A1
SCHEMBL10102316 0.81 MAPT (0.45) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL16015538 0.73 NPC1 (0.34) NPC1RAB9ATHRATHRB
SCHEMBL10107491 0.71 NPC1 (0.43) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL10107474 0.68 LMNA (0.44) NPC1L3MBTL1MAPTPOLBSMN1; SMN2
SCHEMBL16389308 0.68 L3MBTL1 (0.39) L3MBTL1MAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL13851320 0.68 ESR1 (0.41) MAPTPOLBALDH1A1SMN1; SMN2LMNA
SCHEMBL18089753 0.67 THRA (0.43) NPC1RAB9AL3MBTL1MAPTALDH1A1
SCHEMBL13664228 0.66 THRA (0.42) NPC1RAB9AL3MBTL1MAPTHTT
SCHEMBL10107616 0.66 LMNA (0.42) NPC1RAB9AL3MBTL1MAPTPOLB

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 682/4885L3MBTL1 4756/4885

“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.