SCHEMBL4881255

SCHEMBL4881255

CCc1ccccc1Oc1c[nH]nc1-c1cc(Br)c(O)cc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.37
KMT2A Q03164 5/20 0.37
ALOX15 P16050 2/20 0.37
ALOX12 P18054 2/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
MEN1 O00255 4/20 0.35
MAPT P10636 3/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 3/20 0.35
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 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
SCHEMBL4873473 0.84 HSP90AA1 (0.41) HSP90AA1KMT2AALOX15SLC6A2SLC6A4
SCHEMBL4875831 0.83 KMT2A (0.46) HSP90AA1KMT2AALOX15ALOX12SLC6A2
SCHEMBL4877833 0.81 HSP90AA1 (0.44) HSP90AA1KMT2AALOX15SLC6A2SLC6A4
SCHEMBL4879596 0.81 CAMK2A (0.37) HSP90AA1KMT2AMEN1MAPTGAA
SCHEMBL4881567 0.80 HSP90AA1 (0.37) HSP90AA1KMT2AMEN1MAPTNPSR1
SCHEMBL4883543 0.80 HSP90AA1 (0.42) HSP90AA1KMT2AALOX15ALOX12MEN1
SCHEMBL4876588 0.80 HSP90AA1 (0.40) HSP90AA1KMT2AMEN1MAPTNPSR1
SCHEMBL4880403 0.79 HSP90AA1 (0.38) HSP90AA1KMT2AALOX15ALOX12MEN1
SCHEMBL717437 0.77 ALOX12 (0.61) HSP90AA1KMT2AALOX15ALOX12MEN1
SCHEMBL4881078 0.76 HSP90AA1 (0.40) HSP90AA1MAPTLMNAGAA

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 2/4885KMT2A 4029/4885ALOX15 4331/4885

“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.