SCHEMBL397069

SCHEMBL397069

COc1ccc(-c2ccccc2N)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
CYP3A4 P08684 2/20 0.56
CYP1A1 P04798 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP1B1 Q16678 2/20 0.56
CYP2E1 P05181 1/20 0.56
CYP2C8 P10632 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2A6 P11509 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP4B1 P13584 1/20 0.56
CYP2B6 P20813 1/20 0.56
CYP3A5 P20815 1/20 0.56
CYP2A7 P20853 1/20 0.56
CYP3A7 P24462 1/20 0.56
CYP2F1 P24903 1/20 0.56
CYP2C18 P33260 1/20 0.56
CYP2C19 P33261 1/20 0.56
CYP2J2 P51589 1/20 0.56
CYP4F2 P78329 1/20 0.56

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
SCHEMBL3785422 0.87 SCN2A (0.54) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL398186 0.86 HDAC4 (0.58) ALDH1A1CYP3A4MAPK1MEN1MAPT
SCHEMBL31457335 0.85 SMN1; SMN2 (0.53) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL9272421 0.85 CYP1A2 (0.63) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL28744370 0.85 CYP3A4 (0.56) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL3787198 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4HTTGAAMAPK1
SCHEMBL3783731 0.83 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP1A2CYP2D6CYP2A6
SCHEMBL29589241 0.82 CYP1A1 (0.69) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL196689 0.82 CYP1A1 (0.69) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1
SCHEMBL1673424 0.82 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924369-A Phosphite group-containing carbazole polymerization inhibitor, preparation method and application thereof 万华化学集团股份有限公司 2024-04-26 CN 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
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-11-03 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US 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-20090270411-A1 PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2009-10-29 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
EP-1966142-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS Richter Gedeon NYRT (HU) 2008-09-10 EP disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
WO-2007072092-A2 NEW PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS RICHTER GEDEON NYRT. (HU) 2007-06-28 WO 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 (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-20190144450-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20100184739-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20090270411-A1 PHENANTHRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS BDKRB2, BDKRB1, HRH2 ALDH1A1 3747/4885CYP3A4 993/4885CYP1A1 643/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20160318931-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 2165/4885CYP3A4 1862/4885CYP1A1 2364/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 ALDH1A1 2651/4885CYP3A4 3256/4885CYP1A1 3554/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885CYP3A4 3391/4885CYP1A1 3310/4885

“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.