SCHEMBL7149272

SCHEMBL7149272

OCC(O)Cn1ccc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.66
MEN1 O00255 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MAPT P10636 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
TSHR P16473 2/20 0.66
AGER Q15109 1/20 0.61
LMNA P02545 2/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.59
BACE1 P56817 1/20 0.58
KDM4E B2RXH2 3/20 0.57
PRMT5 O14744 1/20 0.57
RAD52 P43351 1/20 0.57
HPGD P15428 1/20 0.56
CDK4 P11802 4/20 0.55
CCND1 P24385 4/20 0.55
TP53 P04637 1/20 0.52
GAA P10253 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
SCHEMBL16603958 0.91 AGER (0.71) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6689749 0.86 MEN1 (0.67) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL786313 0.84 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21936200 0.84 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12742354 0.84 KMT2A (0.60) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL773619 0.84 MEN1 (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6936381 0.83 CDK4 (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6936370 0.83 CDK4 (0.61) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21335547 0.81 CDK4 (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL21335542 0.81 CDK4 (0.53) KMT2AMEN1ALDH1A1MAPTSMN1; 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10022352-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-07-17 US disclosed
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2018-06-14 US disclosed
US-9974781-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-22 US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-9758510-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-09-12 US disclosed
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-06 US disclosed
US-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-11-17 US disclosed
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2016-09-22 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
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-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing COOK PHILLIP D (US) 2003-04-03 US disclosed
US-6448373-B1 INHIBITORS OF ENZYMES SUCH AS PHOSPHOLIPASE A2; TREATMENT OF INFLAMMATORY DISEASES INCLUDING ATOPIC DERMATITIS AND INFLAMMATORY BOWEL DISEASE ISIS PHARMACEUTICALS, INC. 2002-09-10 US disclosed
EP-0739351-B1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 2002-04-10 EP disclosed
US-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed
EP-0739351-A4 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS INC (US) 1998-10-21 EP disclosed
WO-1997003049-A1 N-SUBSTITUTED 4-HYDROXYINDOLE DERIVATIVES AND KERATIN FIBRE DYEING COMPOSITIONS CONTAINING SAME L'OREAL (FR) 1997-01-30 WO disclosed
EP-0739351-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018820-A1 MONOMERIC DIOLS AND PHOSPHATE LINKED OLIGOMERS FORMED THEREFROM ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 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 (9 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-20160332997-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
US-11639347-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
US-20170189389-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
US-20030065146-A1 Monomeric diols, phosphate linked oligomers formed therefrom and processes for preparing BPGM, PPIP5K2, PGM2 KMT2A 4495/4885MEN1 2773/4885ALDH1A1 3840/4885
US-20180162842-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
US-10022352-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
US-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885
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 KMT2A 3350/4885MEN1 4579/4885ALDH1A1 3137/4885
US-20160271105-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 KMT2A 4313/4885MEN1 4687/4885ALDH1A1 1961/4885

“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.