SCHEMBL398187

SCHEMBL398187

Cn1cc(C(=O)Nc2ccccc2)c(=O)c2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.75
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
LMNA P02545 1/20 0.64
S1PR1 P21453 7/20 0.64
S1PR3 Q99500 7/20 0.64
ALDH1A1 P00352 1/20 0.61
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NR4A2 P43354 1/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CNR2 P34972 1/20 0.52

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
SCHEMBL22416125 0.92 MAOB (0.77) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL6005094 0.90 MAOB (0.61) MAOBNPC1LMNAALDH1A1NR4A2
SCHEMBL6163210 0.89 MAOB (0.76) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL399151 0.87 MAOB (0.63) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL4510662 0.85 LMNA (0.65) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL10341234 0.84 KDM4E (0.72) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL24254462 0.82 LMNA (0.71) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL30542058 0.82 LMNA (0.71) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL397059 0.82 MAP3K5 (0.57) MAOBRAB9ANPC1LMNAS1PR1
SCHEMBL10387779 0.82 NR4A2 (0.55) MAOBRAB9ANPC1S1PR1S1PR3

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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2502914-A2 Modulators of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2012-09-26 EP claimed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US claimed
US-11505528-B2 Inhibitors of microbially induced amyloid AXIAL THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
WO-2022098879-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2022-05-12 WO disclosed
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2022-05-05 US disclosed
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME AXIAL THERAPEUTICS, INC. (US) 2021-02-25 US disclosed
US-20200290970-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID AXIAL BIOTHERAPEUTICS, INC. (US) 2020-09-17 US disclosed
EP-3705477-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-09-09 EP disclosed
US-10662192-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-26 US disclosed
EP-3216787-B1 INTERMEDIATES FOR THE PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2020-02-19 EP disclosed
US-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-05-16 US disclosed
CN-101006076-B Modulators of ATP-binding cassette transporters VERTEX PHARMA 2010-09-29 CN disclosed
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 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 (12 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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAOB 2865/4885RAB9A 2557/4885NPC1 28/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MAOB 2865/4885RAB9A 2557/4885NPC1 28/4885
US-11505528-B2 Inhibitors of microbially induced amyloid SNCA, PARK7, PRNP MAOB 553/4885RAB9A 738/4885NPC1 1829/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAOB 2865/4885RAB9A 2557/4885NPC1 28/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 MAOB 2865/4885RAB9A 2557/4885NPC1 28/4885
US-20210052503-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 MAOB 852/4885RAB9A 703/4885NPC1 909/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 MAOB 2865/4885RAB9A 2557/4885NPC1 28/4885
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 MAOB 852/4885RAB9A 703/4885NPC1 909/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 MAOB 3796/4885RAB9A 1885/4885NPC1 38/4885
US-20200290970-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID SNCA, PARK7, PRNP MAOB 553/4885RAB9A 738/4885NPC1 1829/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 MAOB 3602/4885RAB9A 2039/4885NPC1 95/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 MAOB 3286/4885RAB9A 2101/4885NPC1 28/4885

“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.