SCHEMBL1466271

SCHEMBL1466271

CCCC(=O)Nc1c(F)cc([N+](=O)[O-])cc1C#CC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 4/20 0.39
GAA P10253 3/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX12 P18054 1/20 0.36
POLB P06746 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CYP1A2 P05177 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL12824754 0.81 HTT (0.46) HTTMEN1KMT2AMAPTLMNA
SCHEMBL1465528 0.77 LMNA (0.38) HTTMEN1KMT2AMAPTLMNA
SCHEMBL1466140 0.71 XDH (0.41) HTTMEN1KMT2AMAPTLMNA
SCHEMBL19753283 0.71 MAPK1 (0.36) HTTKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL1465863 0.70 MAPT (0.48) HTTMEN1KMT2AMAPTLMNA
SCHEMBL19753282 0.69 MAPK1 (0.35) HTTKMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL6478206 0.67 GSK3B (0.53) HTTMEN1KMT2AMAPTLMNA
SCHEMBL8466527 0.66 SMN1; SMN2 (0.50) MEN1KMT2AMAPTLMNASMN1; SMN2
SCHEMBL1465039 0.65 MAPK1 (0.47) HTTMEN1KMT2AMAPTLMNA
SCHEMBL28694756 0.65 LMNA (0.51) MEN1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE50453-E1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2024-03-21 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-03-30 US disclosed
US-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2022-12-29 US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
EP-2007756-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmceuticals Incorporated (US) 2008-12-31 EP disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
WO-2007117715-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-10-18 WO disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 US disclosed
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency VERTEX PHARMACEUTICALS INCORPORATED 2007-10-18 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 (8 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-20220411410-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20240092766-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 HTT 887/4885MEN1 4672/4885KMT2A 4223/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20230100634-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTT 1077/4885MEN1 4687/4885KMT2A 4313/4885
US-20070244159-A1 including Cystic Fibrosis Transmembrane Conductance Regulator (\"CFTR\"), such as 1-(Benzo[d][1,3]dioxol-5-yl)-N-(2-(1-hydroxy-2-methylpropan-2-yl)-1H-indol-5-yl)cyclopropanecarboxamide, used for the treatment of genetic disorders such as cystic fibrosis, emphysema, hemochromatosis and protein C deficiency CFTR, ABCD3, ABCC2 HTT 463/4885MEN1 4579/4885KMT2A 3350/4885

“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.