SCHEMBL12026796

SCHEMBL12026796

COc1ccc(C2(C(=O)Nc3nnc(Cc4ccccc4Cl)s3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ LMNA P02545 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ CACNA1G O43497 1/20 0.49
▸ CACNA1H O95180 1/20 0.49
▸ CACNA1I Q9P0X4 1/20 0.49
▸ GAA P10253 2/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ DNMT1 P26358 1/20 0.48
▸ PTPN7 P35236 1/20 0.48
▸ MCL1 Q07820 1/20 0.48
▸ ESR2 Q92731 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL12026953 0.84 CACNA1G (0.46) ALDH1A1LMNAMAPTPOLBCACNA1G
SCHEMBL12026486 0.84 POLB (0.58) ALDH1A1LMNAMAPTPOLBCACNA1G
SCHEMBL12026809 0.81 CFTR (0.55) GLS
SCHEMBL12026508 0.80 POLB (0.56) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL12026510 0.80 POLB (0.55) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL12026596 0.79 GAA (0.57) ALDH1A1LMNAMAPTPOLBGAA
SCHEMBL12026524 0.78 CACNA1G (0.46) ALDH1A1LMNAMAPTPOLBCACNA1G
SCHEMBL15826994 0.77 GLS (0.52) GLSALDH1A1MEN1KMT2AUSP2
SCHEMBL12026612 0.76 CACNA1G (0.48) ALDH1A1LMNAMAPTTP53POLB
SCHEMBL12026973 0.75 POLB (0.54) ALDH1A1LMNAMAPTPOLBGAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 — — US disclosed
US-9550761-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-01-24 — — US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 — — US disclosed
US-8759335-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-24 — — US disclosed
US-20140080825-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-03-20 — — US disclosed
US-8541453-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-24 — — US disclosed
US-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 — — US disclosed
US-7977322-B2 Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-12 — — US disclosed
US-7977322-B2 Such as 1-Benzo[1,3]dioxol-5-yl-cyclopropanecarboxylic acid [5-(2-methoxy-pyridin-3-ylmethyl)-thiazol-2-yl]-amide 5-(2-Methoxy-pyridin-3-ylmethyl)-thiazol-2-ylamine; cystic fibrosis transmembrane conductance regulator disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-12 — — US disclosed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 — — US disclosed
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2008-07-24 — — 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 (3 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-20110306637-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 GLS 314/4885ALDH1A1 1892/4885LMNA 3024/4885
US-20140080825-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 GLS 314/4885ALDH1A1 1892/4885LMNA 3024/4885
US-20080176899-A1 Modulators of ATP-Binding Cassette transporters CFTR, ABCB1, ABCC2 GLS 314/4885ALDH1A1 1892/4885LMNA 3024/4885

“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.

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