SCHEMBL4879596

SCHEMBL4879596

Oc1cc(O)c(-c2n[nH]cc2Oc2ccccc2Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CAMK2A Q9UQM7 2/20 0.37
HSP90AA1 P07900 4/20 0.36
RHEB Q15382 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
CXCL8 P10145 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4873473 0.85 HSP90AA1 (0.41) HSP90AA1ESR1ESR2KMT2AMAPT
SCHEMBL4877833 0.85 HSP90AA1 (0.44) HSP90AA1ESR1ESR2KMT2AMAPT
SCHEMBL4881567 0.83 HSP90AA1 (0.37) HSP90AA1ESR1ESR2KMT2AMAPT
SCHEMBL4873445 0.82 CAMK2A (0.46) CAMK2AHSP90AA1ESR1ESR2KMT2A
SCHEMBL4881255 0.81 HSP90AA1 (0.37) HSP90AA1KMT2AMAPTPOLBGAA
SCHEMBL4881040 0.81 HSP90AA1 (0.42) HSP90AA1RHEBESR1ESR2KMT2A
SCHEMBL4876588 0.80 HSP90AA1 (0.40) HSP90AA1ESR1ESR2KMT2AMAPT
SCHEMBL4883681 0.80 SLC6A4 (0.38) HSP90AA1RHEB
SCHEMBL4881628 0.79 EPAS1 (0.38) HSP90AA1ESR1ESR2
SCHEMBL4882081 0.78 HSP90AA1 (0.42) HSP90AA1ESR1ESR2KMT2AMAPT

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 CAMK2A 1117/4885HSP90AA1 2/4885RHEB 626/4885

“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.