SCHEMBL2965244

SCHEMBL2965244

O=C(O)c1c[nH]c2cc(Cl)ccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.66
F3 P13726 1/20 0.66
CYP1A2 P05177 2/20 0.62
ALDH1A1 P00352 2/20 0.62
HPGD P15428 2/20 0.62
MEN1 O00255 1/20 0.62
ALOX12 P18054 1/20 0.62
KMT2A Q03164 1/20 0.62
NR4A2 P43354 1/20 0.57
CSNK2A2 P19784 2/20 0.56
CSNK2B P67870 2/20 0.56
CSNK2A1 P68400 2/20 0.56
MDH2 P40926 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL30906941 1.00 F7 (0.66) F7F3CYP1A2ALDH1A1HPGD
SCHEMBL613332 0.90 F7 (0.74) F7F3ALDH1A1HPGDMEN1
SCHEMBL30392504 0.90 F7 (0.74) F7F3ALDH1A1HPGDMEN1
Ammonia Solution, Strong SCHEMBL4556453 0.88 F7 (0.72) F7F3ALDH1A1HPGDMEN1
SCHEMBL398364 0.87 F7 (0.81) F7F3CYP1A2ALDH1A1HPGD
SCHEMBL4334729 0.84 F7 (0.51) F7F3CYP1A2ALDH1A1HPGD
SCHEMBL18589525 0.82 CYP1A2 (0.64) CYP1A2ALDH1A1HPGDMEN1ALOX12
SCHEMBL7162254 0.82 NR4A2 (0.59) F7F3ALDH1A1KMT2ANR4A2
SCHEMBL12786892 0.81 CYP1A2 (0.62) CYP1A2ALDH1A1HPGDMEN1ALOX12
SCHEMBL4452877 0.81 KDM4E (0.77) CYP1A2ALDH1A1HPGDMEN1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59137481-A None JP disclosed
JP-59013777-A None JP disclosed
JP-59010580-A None JP disclosed
JP-59029685-A None JP 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
WO-2017198196-A1 QUINOLINE DERIVATIVE HAVING ANTI-TUMOR ACTIVITY 王子厚 2017-11-23 WO disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP 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
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
CN-101006076-A Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2007-07-25 CN 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
JP-S59137481-A 7-DIAZABICYCLOALKANE-SUBSTITUTED-4-OXO-1,4-DIHYDRO- QUINOLINE-3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-08-07 JP disclosed
JP-S5929685-A 7-SUBSTITUTED PHENYLPIPERAZINO-4-OXO-1,4-DIHYDROQUINOLINE- 3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-02-16 JP disclosed
JP-S5913777-A 7-HOMOPIPERAZINE-SUBSTITUTED-4-OXO-1,4-DIHYDRO-QUINOLINE-3- CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-01-24 JP disclosed
JP-S5910580-A 7-PHENYL-SUBSTITUTED PIPERAZINO-4-OXO-1,4- DIHYDROQUINOLINE-3-CARBOXYLIC ACID DERIVATIVE HOKURIKU SEIYAKU CO LTD 1984-01-20 JP 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 (5 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 F7 4811/4885F3 3651/4885CYP1A2 2537/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 F7 4811/4885F3 3651/4885CYP1A2 2537/4885
US-10662192-B2 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 F7 4811/4885F3 3651/4885CYP1A2 2537/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 F7 4683/4885F3 3663/4885CYP1A2 3682/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 F7 4408/4885F3 2599/4885CYP1A2 3525/4885

“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.