SCHEMBL644513

SCHEMBL644513

Cc1ccccc1-n1c(O)nnc1-c1cc(S(=O)(=O)N(C)Cc2ccco2)c(O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TP53 P04637 4/20 0.40
RXFP1 Q9HBX9 6/20 0.39
POLB P06746 3/20 0.39
THRB P10828 1/20 0.38
GFER P55789 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 1/20 0.36

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
SCHEMBL644915 0.92 HSP90AA1 (0.51) HSP90AA1KMT2AMEN1TP53RXFP1
SCHEMBL644655 0.91 HSP90AA1 (0.51) HSP90AA1KMT2AMEN1TP53RXFP1
SCHEMBL645783 0.86 HSP90AA1 (0.46) HSP90AA1KMT2AMEN1TP53RXFP1
SCHEMBL644571 0.85 HSP90AA1 (0.42) HSP90AA1POLBALDH1A1HTTHPGD
SCHEMBL644537 0.85 HSP90AA1 (0.42) HSP90AA1POLB
SCHEMBL646952 0.84 HSP90AA1 (0.44) HSP90AA1RXFP1POLBTHRBMAPT
SCHEMBL646963 0.83 HSP90AA1 (0.43) HSP90AA1RXFP1POLBTHRBALDH1A1
SCHEMBL4938769 0.83 HSP90AA1 (0.59) HSP90AA1TP53
SCHEMBL645798 0.83 HSP90AA1 (0.51) HSP90AA1ALDH1A1HTT
SCHEMBL646674 0.83 HSP90AA1 (0.43) HSP90AA1KMT2AMEN1MAPT

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 2/4885KMT2A 3872/4885MEN1 4672/4885

“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.