SCHEMBL10160882

SCHEMBL10160882

Cc1c(C(=O)Oc2ccccc2)c(O)c2cc(Br)ccc2c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.43
ALOX5 P09917 3/20 0.41
PTGFR P43088 1/20 0.37
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
NSD2 O96028 1/20 0.36
S100A4 P26447 2/20 0.36
MDM2 Q00987 1/20 0.35

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
SCHEMBL10160884 0.87 MAPT (0.41) MAPTALOX5PTGFRGAAMEN1
SCHEMBL10160881 0.81 NSD2 (0.40) MAPTPTGFRGAAMEN1KMT2A
SCHEMBL10160886 0.81 NSD2 (0.39) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL10160979 0.81 MAPT (0.43) MAPTPTGFRGAAMEN1KMT2A
SCHEMBL9281416 0.78 ALOX5 (0.46) MAPTALOX5GAAMEN1KMT2A
SCHEMBL19498592 0.76 ALOX5 (0.47) MAPTALOX5GAAMEN1KMT2A
SCHEMBL10161057 0.74 ALDH1A1 (0.35) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL15521226 0.74 ALOX5 (0.45) MAPTALOX5GAAMEN1KMT2A
SCHEMBL9284536 0.74 ALOX5 (0.44) MAPTALOX5KMT2ASMN1; SMN2KDM4E
SCHEMBL113312 0.71 ALOX5 (0.46) MAPTALOX5MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
US-20120115819-A1 Pentacycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-10 US disclosed
WO-2010132670-A2 PENTACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. (US) 2010-11-18 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-20120115819-A1 Pentacycline Compounds TSLP, IL5, IL17A MAPT 734/4885ALOX5 2392/4885PTGFR 219/4885

“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.