SCHEMBL10160931

SCHEMBL10160931

C=CCNc1c(C)c(C(=O)Oc2ccccc2)c(OC)c2cc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 3/20 0.37
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK8 P45983 5/20 0.36
PTGFR P43088 6/20 0.35
LMNA P02545 1/20 0.34
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL10160947 0.81 ALOX5 (0.36) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10161197 0.79 MAPT (0.41) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10161226 0.78 MAPT (0.40) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10160924 0.78 MAPT (0.40) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10160884 0.75 MAPT (0.41) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10160979 0.73 MAPT (0.43) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10160471 0.71 MAPT (0.42) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10161057 0.71 ALDH1A1 (0.35) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL10160980 0.71 MEN1 (0.39) ALDH1A1MEN1NPC1CYP1A2GAA
SCHEMBL18531684 0.70 NPC1 (0.37) ALDH1A1MEN1NPC1KMT2ASMN1; 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 ALDH1A1 1598/4885MEN1 3624/4885NPC1 3978/4885

“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.