SCHEMBL646874

SCHEMBL646874

COc1cccc(-n2c(O)nnc2-c2cc(C(=O)N(C)Cc3ccco3)c(O)cc2O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.53
TSHR P16473 3/20 0.48
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
HSP90AB1 P08238 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL644634 0.90 HSP90AA1 (0.55) HSP90AA1TSHRPOLBHSP90AB1ALDH1A1
SCHEMBL645477 0.90 HSP90AA1 (0.54) HSP90AA1TSHRPOLBHSP90AB1HPGD
SCHEMBL647312 0.89 HSP90AA1 (0.59) HSP90AA1TSHRPOLBMEN1KMT2A
SCHEMBL644870 0.89 HSP90AA1 (0.57) HSP90AA1TSHRPOLBHSP90AB1ALDH1A1
SCHEMBL645397 0.88 HSP90AA1 (0.53) HSP90AA1TSHRPOLBHSP90AB1ALDH1A1
SCHEMBL645183 0.86 HSP90AA1 (0.56) HSP90AA1TSHRHSP90AB1HPGDNPSR1
SCHEMBL27690693 0.85 HSP90AA1 (0.45) HSP90AA1TSHRPOLBMEN1KMT2A
SCHEMBL646593 0.85 HSP90AA1 (0.55) HSP90AA1TSHRPOLBMEN1KMT2A
SCHEMBL4939339 0.83 HSP90AA1 (0.43) HSP90AA1TSHRPOLBMEN1KMT2A
SCHEMBL644858 0.82 HSP90AA1 (0.69) HSP90AA1TSHRPOLBMEN1KMT2A

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 2/4885TSHR 1454/4885POLB 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.