SCHEMBL4881567

SCHEMBL4881567

Oc1cc(O)c(-c2n[nH]cc2Oc2cccc(Br)c2Br)cc1Br

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.37
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
LMNA P02545 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
SCHEMBL4876588 0.84 HSP90AA1 (0.40) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4877833 0.83 HSP90AA1 (0.44) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4873473 0.83 HSP90AA1 (0.41) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4879596 0.83 CAMK2A (0.37) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4880054 0.81 HSP90AA1 (0.41) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4881255 0.80 HSP90AA1 (0.37) HSP90AA1MEN1MAPTKMT2ANPSR1
SCHEMBL4881628 0.80 EPAS1 (0.38) HSP90AA1ESR1ESR2
SCHEMBL4882081 0.79 HSP90AA1 (0.42) HSP90AA1ESR1ESR2MEN1MAPT
SCHEMBL4883680 0.79 HSP90AA1 (0.42) HSP90AA1MEN1MAPTKMT2ANPSR1
SCHEMBL4883681 0.79 SLC6A4 (0.38) HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP claimed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US claimed
EP-1799649-B1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2014-06-25 EP disclosed
US-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-04-17 US disclosed
EP-1799649-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP disclosed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 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-20080090880-A1 3-(2-Hydroxyphenyl) Pyrazoles and Thier Use as Hsp90 Modulators HSP90AB1, HSP90AA1, HSP90AB2P HSP90AA1 2/4885ESR1 2505/4885ESR2 1139/4885

“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.