SCHEMBL4492272

SCHEMBL4492272

COc1ccc(NCc2ccc(C#N)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.64
GAA P10253 3/20 0.64
RAB9A P51151 3/20 0.64
NPC1 O15118 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
CACNA1B Q00975 3/20 0.60
VNN1 O95497 1/20 0.57
ALDH1A1 P00352 2/20 0.56
LMNA P02545 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
CNR1 P21554 1/20 0.55
CNR2 P34972 1/20 0.55
MAOA P21397 1/20 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
SCHEMBL5993780 1.00 MAPT (0.64) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL25638635 0.92 MAPT (0.55) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5992317 0.86 LOXL2 (0.63) CACNA1BALDH1A1KDM4ECA12CA1
SCHEMBL10078294 0.86 LOXL2 (0.63) CACNA1BALDH1A1KDM4ECA12CA1
SCHEMBL5669873 0.86 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL10055019 0.86 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL1844199 0.86 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL28248607 0.86 MAPT (0.55) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5436758 0.84 MAOA (0.52) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL934511 0.82 VNN1 (0.58) MAPTGAARAB9ANPC1L3MBTL1

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
CN-112679541-B Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2022-03-18 CN claimed
CN-112679541-A Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2021-04-20 CN claimed
CN-112679541-B Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2022-03-18 CN disclosed
CN-112679541-A Preparation method and application of metal organic ternary cyclic compound 大连理工大学 2021-04-20 CN disclosed
US-7576200-B2 Diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-08-18 US disclosed
US-20080281092-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use AVENTIS PHARMA DEUTSCHLAND GMBH 2008-11-13 US disclosed
US-5843333-A Metallo organo liquid crystals in a polymer matrix SNIARICERCHE S.C.P.A (IT) 1998-12-01 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-20080281092-A1 Novel diphenylazetidinones, process for their preparation, medicaments comprising these compounds and their use QDPR, NDUFB6, NDUFB7 MAPT 4430/4885GAA 897/4885RAB9A 2562/4885

“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.