SCHEMBL4937063

SCHEMBL4937063

O=C(Nc1cccc(Cl)c1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.74
▸ LRRK2 Q5S007 3/20 0.69
▸ PPIA P62937 2/20 0.61
▸ SGMS2 Q8NHU3 2/20 0.60
▸ MEN1 O00255 2/20 0.60
▸ KMT2A Q03164 2/20 0.60
▸ FADS1 O60427 1/20 0.56

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
SCHEMBL4941693 0.86 MEN1 (0.63) METLRRK2SGMS2MEN1KMT2A
SCHEMBL4936884 0.86 LRRK2 (0.69) METLRRK2SGMS2MEN1KMT2A
SCHEMBL4943478 0.86 MET (0.74) METLRRK2SGMS2MEN1KMT2A
SCHEMBL13372549 0.83 MET (0.55) METLRRK2PPIASGMS2MEN1
SCHEMBL10323221 0.82 LRRK2 (1.00) LRRK2PPIASGMS2MEN1KMT2A
SCHEMBL21810515 0.82 PPIA (0.76) LRRK2PPIAMEN1KMT2A
SCHEMBL4940769 0.81 SGMS2 (0.66) METLRRK2SGMS2MEN1KMT2A
SCHEMBL4939255 0.81 NPC1 (0.63) METLRRK2SGMS2MEN1KMT2A
SCHEMBL27771283 0.81 FADS1 (0.67) METLRRK2SGMS2FADS1
SCHEMBL13189711 0.81 P2RX1 (0.65) LRRK2MEN1KMT2AFADS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618285-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2013-12-31 — — US disclosed
EP-1853570-B1 HSP90-INHIBITING TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-10-24 — — EP disclosed
US-20080182857-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-07-31 — — US 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-20080182857-A1 Triazole Derivatives HSP90AB1, HSP90AA1, HSP90B1 MET 2929/4885LRRK2 982/4885PPIA 776/4885

“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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