SCHEMBL4941693

SCHEMBL4941693

CCc1cccc(NC(=O)c2ccc(OCc3ccccc3)cc2OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ SGMS2 Q8NHU3 1/20 0.60
▸ MET P08581 11/20 0.59
▸ LRRK2 Q5S007 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ NR1H4 Q96RI1 2/20 0.55

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
SCHEMBL4940840 0.89 SGMS2 (0.61) MEN1KMT2ASGMS2METSMN1; SMN2
SCHEMBL4936884 0.88 LRRK2 (0.69) MEN1KMT2ASGMS2METLRRK2
SCHEMBL4943478 0.86 MET (0.74) MEN1KMT2ASGMS2METLRRK2
SCHEMBL4937063 0.86 MET (0.74) MEN1KMT2ASGMS2METLRRK2
SCHEMBL4939255 0.83 NPC1 (0.63) MEN1KMT2ASGMS2METLRRK2
SCHEMBL13473004 0.83 SMN1; SMN2 (0.46) MEN1KMT2AMETSMN1; SMN2
SCHEMBL10323195 0.82 LRRK2 (0.80) MEN1KMT2ASGMS2LRRK2
SCHEMBL14228248 0.82 MEN1 (0.64) MEN1KMT2ASGMS2LRRK2SMN1; SMN2
SCHEMBL4940769 0.81 SGMS2 (0.66) MEN1KMT2ASGMS2METLRRK2
SCHEMBL19049633 0.79 SMN1; SMN2 (0.61) MEN1KMT2ASGMS2LRRK2SMN1; 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 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 MEN1 4447/4885KMT2A 4070/4885SGMS2 4651/4885

“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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