SCHEMBL10170540

SCHEMBL10170540

CN(Cc1ccccc1OCC(N)=O)C(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 18/20 0.55
HSP90AB1 P08238 9/20 0.55
KCNN4 O15554 1/20 0.43
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10170535 0.92 HSP90AA1 (0.65) HSP90AA1HSP90AB1KCNN4
SCHEMBL10170539 0.91 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL645256 0.90 HSP90AA1 (0.63) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL10170510 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL10170523 0.88 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL647197 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL645490 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL645181 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL10170531 0.86 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL644861 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1

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 6 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 disclosed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119795-B2 Triazole derivatives II MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
US-20100022540-A1 TRIAZOLE DERIVATIVES II MERCK PATENT GESELLSCHAFT (DE) 2010-01-28 US disclosed
WO-2007134678-A2 TRIAZOLE DERIVATIVES II MERCK PATENT GMBH (DE) 2007-11-29 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-20100022540-A1 TRIAZOLE DERIVATIVES II HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885HSP90AB1 1/4885KCNN4 4837/4885

“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.