SCHEMBL4489505

SCHEMBL4489505

NNC(=O)CN1CCN(c2c[nH]nc2-c2cc(Cl)c(O)cc2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 13/20 0.52
▸ HSP90AB1 P08238 13/20 0.52
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 4/20 0.38
▸ GFER P55789 1/20 0.38
▸ MAPT P10636 3/20 0.38

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
SCHEMBL13627493 0.89 HSP90AA1 (0.66) HSP90AA1HSP90AB1ALDH1A1MAPT
SCHEMBL13627517 0.87 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL13627511 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1ALDH1A1GAAMAPT
SCHEMBL13627516 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL13627468 0.82 HSP90AA1 (0.63) HSP90AA1HSP90AB1
SCHEMBL13627510 0.81 MAPT (0.52) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2GFER
SCHEMBL4494977 0.81 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL13627505 0.80 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL4484388 0.80 BACE1 (0.43) HSP90AA1HSP90AB1ALDH1A1SMN1; SMN2GAA
SCHEMBL13627491 0.79 HSP90AA1 (0.65) HSP90AA1HSP90AB1ALDH1A1

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
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-7612201-B2 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2009-11-03 — — US disclosed
US-20060148817-A1 Pyrazole compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2006-07-06 — — US disclosed
EP-1572664-A1 PYRAZOLE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2005-09-14 — — EP disclosed
WO-2004056782-A1 PYRAZOLE COMPOUNDS VERNALIS (CAMBRIDGE) LIMITED (GB) 2004-07-08 — — 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-20060148817-A1 Pyrazole compounds NRAS, HSP90AB1, HSP90AA1 HSP90AA1 3/4885HSP90AB1 2/4885ALDH1A1 883/4885

“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.

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