SCHEMBL4940769

SCHEMBL4940769

O=C(Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.66
▸ GAA P10253 1/20 0.65
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ LMNA P02545 2/20 0.62
▸ RXFP1 Q9HBX9 1/20 0.62
▸ MET P08581 5/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ RECQL P46063 1/20 0.60
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ MAPT P10636 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GPR55 Q9Y2T6 1/20 0.56
▸ LRRK2 Q5S007 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
SCHEMBL4943478 0.88 MET (0.74) SGMS2MEN1KMT2AMETLRRK2
SCHEMBL4939255 0.88 NPC1 (0.63) SGMS2GAAMEN1KMT2AMET
SCHEMBL4940840 0.87 SGMS2 (0.61) SGMS2GAAMEN1KMT2AMET
SCHEMBL13372550 0.83 MEN1 (0.57) SGMS2GAAMEN1KMT2ALMNA
SCHEMBL7908630 0.83 NR4A2 (0.60) KMT2ALMNAMAPTL3MBTL1
SCHEMBL7910894 0.81 FFAR4 (0.65) KMT2ALMNAMAPTL3MBTL1
SCHEMBL488035 0.81 SGMS2 (0.57) SGMS2GAAMEN1KMT2ALMNA
SCHEMBL4936884 0.81 LRRK2 (0.69) SGMS2MEN1KMT2ALMNAMET
SCHEMBL4937063 0.81 MET (0.74) SGMS2MEN1KMT2AMETLRRK2
SCHEMBL4941693 0.81 MEN1 (0.63) SGMS2MEN1KMT2AMETSMN1; 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 SGMS2 4651/4885GAA 1060/4885MEN1 4447/4885

“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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