SCHEMBL4881235

SCHEMBL4881235

CN1CCN(S(=O)(=O)c2cc(-c3n[nH]cc3Oc3ccccc3Cl)c(O)cc2O)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
THRB P10828 1/20 0.41
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4876500 0.90 MAPT (0.49) ALDH1A1KMT2ATHRBPOLBMAPT
SCHEMBL27703372 0.83 HSP90AA1 (0.32) ALDH1A1KMT2AMEN1HSP90AA1
SCHEMBL14197368 0.83 LMNA (0.37) ALDH1A1KMT2AMEN1POLBMAPT
SCHEMBL4873453 0.82 CYP3A4 (0.41) MAPTLMNA
SCHEMBL4880243 0.80 GAA (0.39) KMT2APOLBHSP90AA1
SCHEMBL4871718 0.78 MAPT (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL4882855 0.77 THRB (0.41) THRBMAPT
SCHEMBL4881914 0.77 KMT2A (0.34) ALDH1A1KMT2AMEN1MAPTL3MBTL1
SCHEMBL4883423 0.75 LMNA (0.42) ALDH1A1POLBMAPTL3MBTL1LMNA
SCHEMBL4883703 0.75 PTGS1 (0.39) ALDH1A1THRBPOLBSMN1; SMN2

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 ALDH1A1 1963/4885KMT2A 4029/4885MEN1 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.