SCHEMBL17890722

SCHEMBL17890722

CC(C)(C)N(C(=O)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 2/20 0.58
▸ ALOX5 P09917 3/20 0.56
▸ PTGS1 P23219 2/20 0.56
▸ PTGS2 P35354 2/20 0.56
▸ MAOB P27338 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NR4A1 P22736 1/20 0.54
▸ NR4A2 P43354 1/20 0.54
▸ NR4A3 Q92570 1/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ LMNA P02545 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ PARP10 Q53GL7 1/20 0.51

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
SCHEMBL27885596 0.83 ALOX5 (0.49) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL17890895 0.78 ALOX5 (0.51) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL5702266 0.78 L3MBTL1 (0.63) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL7034982 0.77 KMT2A (0.47) L3MBTL1NPC1RAB9ASMN1; SMN2CYP2C19
SCHEMBL1856168 0.76 HDAC8 (0.47) L3MBTL1RAB9ASMN1; SMN2LMNAHDAC6
SCHEMBL3104540 0.75 NOX1 (0.50) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL9235297 0.75 MAOB (0.61) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL11563340 0.75 MAOB (0.60) NOX1ALOX5PTGS1PTGS2MAOB
SCHEMBL10691196 0.74 ALOX5 (0.74) ALOX5PTGS1PTGS2MAOBL3MBTL1
SCHEMBL9707377 0.74 ALOX5 (0.72) ALOX5PTGS1PTGS2MAOBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2021-06-08 — — US disclosed
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2020-08-20 — — US disclosed
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2020-06-23 — — US disclosed
EP-3024826-B1 NEW ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2018-11-14 — — EP disclosed
US-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-01-04 — — US disclosed
US-9809574-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2017-11-07 — — US disclosed
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2016-07-07 — — 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 (5 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-20180002313-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, CASP7, CASP3 NOX1 2558/4885ALOX5 878/4885PTGS1 288/4885
US-20200262816-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BAX, RECQL, CASP7 NOX1 2685/4885ALOX5 853/4885PTGS1 274/4885
US-20160194304-A1 ISOINDOLINE OR ISOQUINOLINE COMPOUNDS, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RECQL, UQCRB, IRF3 NOX1 3352/4885ALOX5 304/4885PTGS1 400/4885
US-10689364-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, CASP7, CASP3 NOX1 2558/4885ALOX5 878/4885PTGS1 288/4885
US-11028070-B2 Isoindoline or isoquinoline compounds, a process for their preparation and pharmaceutical compositions containing them BAX, RECQL, CASP7 NOX1 2685/4885ALOX5 853/4885PTGS1 274/4885

“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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