SCHEMBL4883596

SCHEMBL4883596

N#Cc1ccccc1Oc1c[nH]nc1-c1ccc(O)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
MEN1 O00255 4/20 0.40
GPR55 Q9Y2T6 2/20 0.40
LMNA P02545 2/20 0.40
ALOX12 P18054 2/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 3/20 0.39
LRRK2 Q5S007 1/20 0.39
ESR2 Q92731 4/20 0.39
ESR1 P03372 4/20 0.39
POLB P06746 1/20 0.37
PGR P06401 1/20 0.35
AR P10275 1/20 0.35
CNR1 P21554 1/20 0.35
NR2F2 P24468 1/20 0.35
CNR2 P34972 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
HSP90AB1 P08238 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
SCHEMBL4873445 0.81 CAMK2A (0.46) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4881715 0.81 KMT2A (0.48) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4882953 0.81 LMNA (0.44) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4875802 0.81 KMT2A (0.42) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4879418 0.79 SLC22A12 (0.38) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4890060 0.79 MAPT (0.58) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4876351 0.79 CYP11B1 (0.46) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4874645 0.78 MAPT (0.44) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4875831 0.78 KMT2A (0.46) KMT2AMAPTMEN1GPR55LMNA
SCHEMBL4880998 0.77 MAPT (0.40) KMT2AMAPTMEN1GPR55LMNA

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
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-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS Merck Patent GmbH (DE) 2007-06-27 EP claimed
WO-2006039977-A1 3-(2-HYDROXYPHENYL) PYRAZOLES AND THEIR USE AS HSP90 MODULATORS MERCK PATENT GMBH (DE) 2006-04-20 WO 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 KMT2A 4029/4885MAPT 2220/4885MEN1 4568/4885

“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.