SCHEMBL10150857

SCHEMBL10150857

Cc1cc(C)c2c(c1Cl)CC(=NOCc1ccccc1)/C=C/CC/C=C/C[C@@H](C)OC2=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.46
MKNK2 Q9HBH9 1/20 0.36
MAOA P21397 4/20 0.33
MAOB P27338 1/20 0.33
F13A1 P00488 1/20 0.32
TGM2 P21980 1/20 0.32

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
SCHEMBL10150189 1.00 HSP90AB1 (0.46) HSP90AB1MKNK2MAOAMAOBF13A1
SCHEMBL12142299 0.87 HSP90AB1 (0.64) HSP90AB1MKNK2F13A1TGM2
SCHEMBL10150154 0.87 HSP90AB1 (0.64) HSP90AB1MKNK2F13A1TGM2
SCHEMBL13049779 0.87 HSP90AB1 (0.64) HSP90AB1MKNK2F13A1TGM2
SCHEMBL10150392 0.87 HSP90AB1 (0.32) HSP90AB1
SCHEMBL10150855 0.85 MKNK2 (0.38) HSP90AB1MKNK2MAOAMAOBF13A1
SCHEMBL10150196 0.85 MKNK2 (0.38) HSP90AB1MKNK2MAOAMAOBF13A1
SCHEMBL12142327 0.83 HSP90AB1 (0.42) HSP90AB1MKNK2
SCHEMBL12142324 0.83 HSP90AB1 (0.42) HSP90AB1MKNK2
SCHEMBL12142949 0.83 HSP90AB1 (0.42) HSP90AB1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450305-B2 Macrocyclic compounds useful as inhibitors of kinases and HSP90 UNIVERSITE DE STRASBOURG (FR) 2013-05-28 US disclosed
US-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 LE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-29 US 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-20120077775-A1 MACROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF KINASES AND HSP90 HSP90AB1, HSP90AA1, HSP90AB2P HSP90AB1 1/4885MKNK2 12/4885MAOA 3967/4885

“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.