SCHEMBL10160924

SCHEMBL10160924

COc1c(C(=O)Oc2ccccc2)c(C)c(N)c2ccc(Br)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
CYP1A2 P05177 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
TP53 P04637 2/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 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
SCHEMBL10161197 0.87 MAPT (0.41) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10161226 0.86 MAPT (0.40) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160881 0.86 NSD2 (0.40) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160884 0.82 MAPT (0.41) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160979 0.80 MAPT (0.43) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160471 0.79 MAPT (0.42) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160980 0.78 MEN1 (0.39) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160931 0.78 ALDH1A1 (0.39) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10160947 0.78 ALOX5 (0.36) MAPTSMN1; SMN2NPC1CYP1A2GAA
SCHEMBL10161192 0.73 MAPT (0.36) MAPTSMN1; SMN2NPC1CYP1A2GAA

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 734/4885SMN1; SMN2 3883/4885NPC1 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.