SCHEMBL398391

SCHEMBL398391

O=C(Nc1ccccc1)c1c[nH]c2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CFTR P13569 18/20 1.00
MAOB P27338 1/20 0.70
GABRA1 P14867 1/20 0.67
GABRB1 P18505 1/20 0.67
GABRA5 P31644 1/20 0.67
GABRA3 P34903 1/20 0.67
GABRA2 P47869 1/20 0.67
GABRB2 P47870 1/20 0.67
GABRA4 P48169 1/20 0.67
GABRA6 Q16445 1/20 0.67
MEN1 O00255 1/20 0.62
NPC1 O15118 1/20 0.62
RAB9A P51151 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL397928 0.92 CFTR (0.84) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL4430677 0.89 CFTR (0.80) CFTRMEN1NPC1RAB9AKMT2A
SCHEMBL29050150 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL398976 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL399749 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL399686 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL30492073 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL394208 0.89 CFTR (0.80) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL395413 0.88 CFTR (0.78) CFTRMAOBGABRA1GABRB1GABRA5
SCHEMBL393330 0.88 CFTR (0.78) CFTRMAOBGABRA1GABRB1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336703-B2 Process for the synthesis of ivacaftor and related compounds COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-07-02 US claimed
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2018-05-10 US claimed
WO-2016181414-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-11-17 WO claimed
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-13 US claimed
US-20230113225-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID AXIAL THERAPEUTICS, INC. (US) 2023-04-13 US disclosed
US-20230103887-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID AXIAL THERAPEUTICS, INC. (US) 2023-04-06 US disclosed
US-11505528-B2 Inhibitors of microbially induced amyloid AXIAL THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
US-11505528-B2 Inhibitors of microbially induced amyloid AXIAL THERAPEUTICS, INC. (US) 2022-11-22 US disclosed
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates LAURUS LABS LIMITED (IN) 2022-08-16 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
CN-107501099-B Modulators of ATP-binding cassette transporters 沃泰克斯药物股份有限公司 2021-03-19 CN disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP 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
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO 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 (10 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-20230103887-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID SNCA, PARK7, PRNP CFTR 2168/4885MAOB 553/4885GABRA1 1749/4885
US-10336703-B2 Process for the synthesis of ivacaftor and related compounds AVPR1A, ACVR1, AVPR2 CFTR 390/4885MAOB 810/4885GABRA1 485/4885
US-20180127373-A1 PROCESS FOR THE SYNTHESIS OF IVACAFTOR AND RELATED COMPOUNDS AVPR1A, ACVR1, AVPR2 CFTR 390/4885MAOB 810/4885GABRA1 485/4885
US-11505528-B2 Inhibitors of microbially induced amyloid SNCA, PARK7, PRNP CFTR 2168/4885MAOB 553/4885GABRA1 1749/4885
US-20230113225-A1 INHIBITORS OF MICROBIALLY INDUCED AMYLOID SNCA, PARK7, PRNP CFTR 2182/4885MAOB 470/4885GABRA1 1748/4885
US-20220133634-A1 SUSTAINED RELEASE SOLID DOSAGE FORMS FOR MODULATING THE COLONIC MICROBIOME APC, SNCA, PARK7 CFTR 760/4885MAOB 852/4885GABRA1 2343/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 CFTR 1/4885MAOB 3796/4885GABRA1 974/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 CFTR 1/4885MAOB 3602/4885GABRA1 689/4885
US-20120232059-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 CFTR 1/4885MAOB 3286/4885GABRA1 865/4885
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates ACVR1, SLC10A2, CYP4X1 CFTR 119/4885MAOB 2636/4885GABRA1 1887/4885

“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.