SCHEMBL4941283

SCHEMBL4941283

CCc1ccc(-n2c(O)nnc2-c2ccc(O)cc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.41
ESR1 P03372 5/20 0.40
ESR2 Q92731 2/20 0.40
TDP1 Q9NUW8 2/20 0.38
APOBEC3G Q9HC16 1/20 0.38
NOX4 Q9NPH5 1/20 0.37
NOX1 Q9Y5S8 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
TSHR P16473 2/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL4939682 0.85 ESR1 (0.48) HSP90AA1ESR1ESR2TDP1TSHR
SCHEMBL4939706 0.85 HSP90AA1 (0.41) HSP90AA1ESR1CA12CA1CA2
SCHEMBL4938798 0.81 MAOA (0.39) HSP90AA1ESR1TDP1TSHRMAPK1
SCHEMBL4943310 0.77 HSP90AA1 (0.64) HSP90AA1ESR1ALDH1A1LMNAHPGD
SCHEMBL4940434 0.76 ACHE (0.41) HSP90AA1ESR1TDP1CA12CA1
SCHEMBL4940666 0.76 MAPT (0.43) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL4936637 0.75 NPC1 (0.42) HSP90AA1TDP1MAPK1LMNAKDM4E
SCHEMBL4935271 0.73 KDM4E (0.50) CA12CA1CA2CA7CA9
SCHEMBL4933396 0.72 ESR1 (0.50) HSP90AA1ESR1ESR2
SCHEMBL4933212 0.72 ESR1 (0.50) HSP90AA1ESR1APOBEC3GNOX4NOX1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US claimed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP claimed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 WO claimed
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 EP disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 US disclosed
EP-1853570-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES Merck Patent GmbH (DE) 2007-11-14 EP disclosed
WO-2006087077-A2 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2006-08-24 WO 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-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885ESR1 2460/4885ESR2 1934/4885

“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.