SCHEMBL645397

SCHEMBL645397

CCc1cccc(-n2c(O)nnc2-c2cc(C(=O)N(C)Cc3ccco3)c(O)cc2O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.53
HSP90AB1 P08238 7/20 0.41
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 2/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL644634 0.90 HSP90AA1 (0.55) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL645477 0.90 HSP90AA1 (0.54) HSP90AA1HSP90AB1TSHRPOLBTP53
SCHEMBL647312 0.89 HSP90AA1 (0.59) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL644870 0.89 HSP90AA1 (0.57) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL646874 0.88 HSP90AA1 (0.53) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL645183 0.86 HSP90AA1 (0.56) HSP90AA1HSP90AB1TSHRTP53MAPT
SCHEMBL646606 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1TP53
SCHEMBL646593 0.85 HSP90AA1 (0.55) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL644858 0.82 HSP90AA1 (0.69) HSP90AA1HSP90AB1TSHRALDH1A1POLB
SCHEMBL645569 0.81 HSP90AA1 (0.74) HSP90AA1HSP90AB1TP53

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 3 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

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 1/4885TSHR 1454/4885

“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.