SCHEMBL645477

SCHEMBL645477

CN(Cc1ccco1)C(=O)c1cc(-c2nnc(O)n2-c2cccc(Cl)c2)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 11/20 0.54
DPP4 P27487 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AB1 P08238 4/20 0.39
POLB P06746 2/20 0.38
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL645183 0.93 HSP90AA1 (0.56) HSP90AA1DPP4DPP8MAPTTP53
SCHEMBL644634 0.92 HSP90AA1 (0.55) HSP90AA1HSP90AB1POLBTSHRHPGD
SCHEMBL646593 0.92 HSP90AA1 (0.55) HSP90AA1DPP4DPP8MAPTTP53
SCHEMBL647312 0.91 HSP90AA1 (0.59) HSP90AA1HSP90AB1POLBTSHRHPGD
SCHEMBL644870 0.90 HSP90AA1 (0.57) HSP90AA1MAPTTP53HSP90AB1POLB
SCHEMBL646874 0.90 HSP90AA1 (0.53) HSP90AA1MAPTTP53HSP90AB1POLB
SCHEMBL645397 0.90 HSP90AA1 (0.53) HSP90AA1MAPTTP53HSP90AB1POLB
SCHEMBL645845 0.86 HSP90AA1 (0.61) HSP90AA1DPP4DPP8TP53HSP90AB1
SCHEMBL644858 0.84 HSP90AA1 (0.69) HSP90AA1MAPTTP53HSP90AB1POLB
SCHEMBL645569 0.83 HSP90AA1 (0.74) HSP90AA1TP53HSP90AB1LMNA

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
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP claimed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US claimed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US claimed
EP-2023922-B1 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2012-07-11 EP 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885DPP4 3871/4885DPP8 3730/4885

“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.