SCHEMBL13342869

SCHEMBL13342869

COC(=O)[C@H](C)NC(=O)Oc1ccc(Cl)cc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ TSHR P16473 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR2B P41595 1/20 0.50
▸ RECQL P46063 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ GAA P10253 2/20 0.43
▸ TRPM4 Q8TD43 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ MAPT P10636 1/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42

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
SCHEMBL13342845 0.85 TSHR (0.55) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL13342826 0.79 TSHR (0.57) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL13342876 0.78 BACE1 (0.46) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL13342871 0.78 PYGL (0.54) ALDH1A1CYP2C9
SCHEMBL11255192 0.77 TSHR (0.72) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL6910695 0.77 TSHR (0.72) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL132336 0.75 TSHR (0.56) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL13342860 0.74 NPSR1 (0.53) MEN1KMT2ALMNATSHRHTR2A
SCHEMBL8555896 0.74 MEN1 (0.55) MEN1KMT2ALMNATSHRRECQL
SCHEMBL8654991 0.74 MEN1 (0.55) MEN1KMT2ALMNATSHRRECQL

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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 MEN1 4814/4885KMT2A 1951/4885LMNA 349/4885

“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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