SCHEMBL646663

SCHEMBL646663

CN(Cc1cnccn1)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2Cl)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 6/20 0.47
HDAC1 Q13547 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RAB9A P51151 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
TNKS O95271 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL646611 0.91 HSP90AA1 (0.41) HSP90AA1HDAC1ALDH1A1
SCHEMBL646242 0.91 HSP90AA1 (0.50) HSP90AA1HDAC1SMN1; SMN2TNKS2
SCHEMBL644517 0.91 HSP90AA1 (0.49) HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL645832 0.87 HSP90AA1 (0.48) HSP90AA1POLBALDH1A1TDP1
SCHEMBL648090 0.86 HSP90AA1 (0.49) HSP90AA1ALDH1A1SMN1; SMN2
SCHEMBL646372 0.86 HSP90AA1 (0.50) HSP90AA1POLBALDH1A1TNKSTNKS2
SCHEMBL946020 0.86 HSP90AA1 (0.67) HSP90AA1
SCHEMBL646642 0.85 HSP90AA1 (0.52) HSP90AA1POLBALDH1A1SMN1; SMN2KEAP1
SCHEMBL646966 0.85 HSP90AA1 (0.52) HSP90AA1POLBALDH1A1
SCHEMBL645773 0.84 HSP90AA1 (0.48) HSP90AA1POLBALDH1A1RAB9A

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 2/4885HDAC1 94/4885POLB 3458/4885

“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.