SCHEMBL4882906

SCHEMBL4882906

Cc1ccc(N)cc1Oc1c[nH]nc1-c1ccc(O)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.43
MEN1 O00255 7/20 0.43
ALOX12 P18054 6/20 0.43
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
GPR55 Q9Y2T6 3/20 0.43
HTT P42858 3/20 0.43
HIF1A Q16665 1/20 0.43
GAA P10253 4/20 0.42
AMY1A P0DUB6 1/20 0.41
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
HSP90AA1 P07900 2/20 0.37
ESR1 P03372 1/20 0.36
ALOX15 P16050 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4877184 0.87 KMT2A (0.44) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4881715 0.83 KMT2A (0.48) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4875841 0.82 MAPT (0.45) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4879366 0.80 KMT2A (0.40) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4875807 0.80 LMNA (0.40) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4883512 0.80 LMNA (0.42) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4883426 0.80 MAPT (0.49) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4881990 0.79 MAPT (0.46) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4874664 0.79 MAPT (0.44) KMT2AMEN1ALOX12MAPTLMNA
SCHEMBL4881151 0.79 MAPT (0.44) KMT2AMEN1ALOX12MAPTLMNA

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 KMT2A 4029/4885MEN1 4568/4885ALOX12 4239/4885

“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.