SCHEMBL4471060

SCHEMBL4471060

CC(C)N1C(=O)c2ccccc2C1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 5/20 0.48
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PKM P14618 3/20 0.46
TP53 P04637 2/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
KCNA5 P22460 1/20 0.42
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL21583755 0.83 KMT2A (0.47) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL21261922 0.82 ALDH1A1 (0.45) MEN1KMT2ATSHRL3MBTL1HTT
SCHEMBL10283968 0.81 TSHR (0.49) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL22014087 0.79 HPGD (0.46) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL21019432 0.79 MEN1 (0.43) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL2048234 0.79 TSHR (0.47) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL20427974 0.78 KCNA5 (0.43) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL312075 0.77 RAB9A (0.41) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL19275376 0.77 LMNA (0.41) MEN1KMT2AATMTSHRL3MBTL1
SCHEMBL4468148 0.76 TSHR (0.48) MEN1KMT2AATMTSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMA (US) 2023-10-12 US disclosed
US-11174256-B2 Imidazopyridine derivatives GILEAD SCIENCES, INC. (US) 2021-11-16 US disclosed
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC 2020-11-05 US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 US disclosed
US-20190151323-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES REGENERON PHARMACEUTICALS, INC. 2019-05-23 US disclosed
US-7589117-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-09-15 US disclosed
US-7078428-B2 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-18 US disclosed
US-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-07-06 US disclosed
EP-1528923-B1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS SANOFI AVENTIS DEUTSCHLAND (DE) 2006-05-03 EP disclosed
EP-1528923-A1 N-((3-OXO-2,3-DIHYDRO-1H-ISOINDOL-1-YL)ACETYL)GUANIDINE DERIVATIVES AS NHE1-INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS Aventis Pharma Deutschland GmbH (DE) 2005-05-11 EP disclosed
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUSCHLAND GMBH (DE) 2004-03-11 US disclosed
WO-2003101450-A1 N- ((3-OXO2, 3-DIHYDRO-1H-ISOINDOL-1-YL) ACETYL) GUANIDINE DERIVATIVES AS NHE-1 INHIBITORS FOR THE TREATMENT OF INFARCTION AND ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-12-11 WO disclosed
US-4244966-A 1,3-Dihydro-3-(2-hydroxy-, 2-bromo- or 2-chloroethyl)-2H-isoindol-1-one derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1981-01-13 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 (7 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-20060148880-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 MEN1 3950/4885KMT2A 4795/4885ATM 2563/4885
US-20230321109-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES CD22, HDAC6, NR1H4 MEN1 2459/4885KMT2A 4326/4885ATM 4698/4885
US-11174256-B2 Imidazopyridine derivatives TPMT, IRAK4, CFTR MEN1 3235/4885KMT2A 3790/4885ATM 2532/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR MEN1 3235/4885KMT2A 3790/4885ATM 2532/4885
US-20190151323-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING MACROLIDE DIASTEREOMERS, METHODS OF THEIR SYNTHESIS AND THERAPEUTIC USES CD22, HDAC6, NR1H4 MEN1 2459/4885KMT2A 4326/4885ATM 4698/4885
US-20040048916-A1 Isoindolone derivatives, preparation process and intermediates of this process, their use as medicaments, and pharmaceutical compositions comprising them TNNI3, NDUFB3, NDUFB11 MEN1 3718/4885KMT2A 4806/4885ATM 2652/4885
US-20200347033-A1 MODULATORS OF THE INTEGRATED STRESS PATHWAY ATF4, ATF1, IRF3 MEN1 4743/4885KMT2A 4436/4885ATM 186/4885

“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.