SCHEMBL645400

SCHEMBL645400

CN(Cc1ccccc1OCCN)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.48
HSP90AB1 P08238 1/20 0.35
MAOA P21397 2/20 0.32
CASP3 P42574 2/20 0.32
KCNN4 O15554 2/20 0.32
MAOB P27338 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL645378 0.93 HSP90AA1 (0.48) HSP90AA1HSP90AB1MAOACASP3KCNN4
SCHEMBL644205 0.93 HSP90AA1 (0.42) HSP90AA1HSP90AB1
SCHEMBL10179897 0.93 HSP90AA1 (0.49) HSP90AA1HSP90AB1MAOACASP3MAOB
SCHEMBL646597 0.92 HSP90AA1 (0.47) HSP90AA1HSP90AB1GAA
SCHEMBL648073 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAOACASP3KCNN4
SCHEMBL645488 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1KCNN4RAB9AHSD17B10
SCHEMBL644635 0.91 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOACASP3KCNN4
SCHEMBL645743 0.91 HSP90AA1 (0.46) HSP90AA1HSP90AB1MAOACASP3KCNN4
SCHEMBL10179986 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAOACASP3MAOB
SCHEMBL646679 0.88 HSP90AA1 (0.55) HSP90AA1HSP90AB1MAOACASP3MAOB

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 2/4885HSP90AB1 1/4885MAOA 3267/4885

“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.