SCHEMBL4936884

SCHEMBL4936884

Cc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.69
▸ MEN1 O00255 4/20 0.63
▸ KMT2A Q03164 4/20 0.63
▸ SGMS2 Q8NHU3 1/20 0.60
▸ MET P08581 11/20 0.59
▸ NR1H4 Q96RI1 2/20 0.58
▸ LMNA P02545 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57

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 0.88 MEN1 (0.63) LRRK2MEN1KMT2ASGMS2MET
SCHEMBL4939255 0.88 NPC1 (0.63) LRRK2MEN1KMT2ASGMS2MET
SCHEMBL4943478 0.86 MET (0.74) LRRK2MEN1KMT2ASGMS2MET
SCHEMBL4937063 0.86 MET (0.74) LRRK2MEN1KMT2ASGMS2MET
SCHEMBL13372613 0.83 LRRK2 (0.52) LRRK2MEN1KMT2AMETNR1H4
SCHEMBL4940840 0.82 SGMS2 (0.61) MEN1KMT2ASGMS2MET
SCHEMBL1647521 0.82 LRRK2 (1.00) LRRK2MEN1KMT2ASGMS2
SCHEMBL15943342 0.82 LRRK2 (0.77) LRRK2MEN1KMT2ASGMS2LMNA
SCHEMBL22837809 0.82 MELK (0.63) LRRK2MEN1KMT2ASGMS2LMNA
SCHEMBL4940769 0.81 SGMS2 (0.66) LRRK2MEN1KMT2ASGMS2MET

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 LRRK2 982/4885MEN1 4447/4885KMT2A 4070/4885

“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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