SCHEMBL645798

SCHEMBL645798

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2ccccc2F)c(O)cc1O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.51
HSP90AB1 P08238 6/20 0.40
MAOA P21397 2/20 0.39
CASP3 P42574 2/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 1/20 0.36
RORC P51449 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL646679 0.95 HSP90AA1 (0.55) HSP90AA1HSP90AB1MAOACASP3MAOB
SCHEMBL645274 0.91 HSP90AA1 (0.49) HSP90AA1MAOACASP3MAOBALDH1A1
SCHEMBL646377 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1RORC
SCHEMBL645831 0.88 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOB
SCHEMBL644848 0.88 HSP90AA1 (0.52) HSP90AA1MAOACASP3MAOBALDH1A1
SCHEMBL644896 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL644635 0.87 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAOACASP3MAOB
SCHEMBL647278 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAOACASP3MAOB
SCHEMBL647674 0.87 HSP90AA1 (0.47) HSP90AA1HSP90AB1ALDH1A1RORC
SCHEMBL645783 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1ALDH1A1HTT

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.