SCHEMBL646303

SCHEMBL646303

CN(Cc1cc(Cl)ccc1C(N)=O)S(=O)(=O)c1cc(-c2nnc(O)n2-c2ccccc2F)c(O)cc1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.34
ADRA1D P25100 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
RRM1 P23921 1/20 0.32
RRM2B Q7LG56 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CASP3 P42574 1/20 0.32
CXCR3 P49682 1/20 0.32
KMT2A Q03164 1/20 0.31
HSP90AB1 P08238 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL644594 0.93 HSP90AA1 (0.39) HSP90AA1ADRA1DALDH1A1HSP90AB1
SCHEMBL646140 0.93 HSP90AA1 (0.46) HSP90AA1L3MBTL1ADRA1DALDH1A1HSP90AB1
SCHEMBL647555 0.89 HSP90AA1 (0.49) HSP90AA1L3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL644848 0.86 HSP90AA1 (0.52) HSP90AA1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL646679 0.85 HSP90AA1 (0.55) HSP90AA1MAOAMAOBCASP3HSP90AB1
SCHEMBL644588 0.84 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL645541 0.84 HSP90AA1 (0.51) HSP90AA1L3MBTL1MAPTTP53
SCHEMBL1215976 0.83 HSP90AA1 (0.45) HSP90AA1L3MBTL1ADRA1DCHRM2CHRM1
SCHEMBL645274 0.83 HSP90AA1 (0.49) HSP90AA1ALDH1A1SMN1; SMN2MAOAMAOB
SCHEMBL645488 0.82 HSP90AA1 (0.51) HSP90AA1ALDH1A1MAPTSMN1; SMN2KMT2A

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 2/4885L3MBTL1 2354/4885ADRA1D 1008/4885

“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.