SCHEMBL15401022

SCHEMBL15401022

c1ccc(-c2ccccc2Nc2ccccc2-c2ccsc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
CYP2B6 P20813 2/20 0.55
CYP2E1 P05181 1/20 0.55
FABP3 P05413 1/20 0.50
FABP4 P15090 1/20 0.50
FABP5 Q01469 1/20 0.50
CDK8 P49336 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPRC P08575 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
IDH2 P48735 3/20 0.39
MYC P01106 2/20 0.38
MAX P61244 1/20 0.38
ADORA2A P29274 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL28032952 0.94 CYP2A6 (0.50) CYP2A6CYP2B6CYP2E1FABP3FABP4
SCHEMBL15401024 0.85 CYP2A6 (0.56) CYP2A6CYP2B6CYP2E1FABP3FABP4
SCHEMBL7058734 0.84 CYP2A6 (0.70) CYP2A6CYP2B6CYP2E1CDK8CYP3A4
SCHEMBL27870289 0.82 CYP2A6 (0.67) CYP2A6CYP2B6CYP2E1CDK8CYP3A4
SCHEMBL2437912 0.82 FABP3 (0.67) CYP2A6FABP3FABP4FABP5CYP2C9
SCHEMBL29574036 0.82 FABP3 (0.67) CYP2A6FABP3FABP4FABP5CYP2C9
SCHEMBL15605284 0.80 FABP3 (0.64) CYP2A6FABP3FABP4FABP5CYP2C9
SCHEMBL5370631 0.78 FABP3 (0.62) CYP2A6FABP3FABP4FABP5CYP2C9
SCHEMBL16616585 0.78 FABP3 (0.62) CYP2A6FABP3FABP4FABP5CYP2C9
SCHEMBL3831632 0.77 HCRTR1 (0.49) CYP2A6CYP2B6CYP2E1CYP2C9HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107266481-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2020-04-14 CN disclosed
EP-3260458-B1 POLYCYCLIC AROMATIC COMPOUND UNIV KYOTO (JP) 2019-09-18 EP disclosed
EP-3260458-B1 POLYCYCLIC AROMATIC COMPOUND UNIV KYOTO (JP) 2019-09-18 EP disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 US disclosed
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2019-07-11 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
US-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2018-02-15 US disclosed
EP-3260458-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2017-12-27 EP disclosed
EP-3260458-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2017-12-27 EP disclosed
US-9166176-B2 Polycyclic aromatic compound KYOTO UNIVERSITY (JP) 2015-10-20 US disclosed
EP-2897184-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC Corporation (JP) 2015-07-22 EP disclosed
EP-2897184-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC Corporation (JP) 2015-07-22 EP disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
US-20150097162-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC CORPORATION (JP) 2015-04-09 US disclosed
EP-2752418-A1 POLYCYCLIC AROMATIC COMPOUND Kyoto University (JP) 2014-07-09 EP disclosed
EP-2752418-A1 POLYCYCLIC AROMATIC COMPOUND Kyoto University (JP) 2014-07-09 EP disclosed
WO-2014042197-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE JNC株式会社 (JP) 2014-03-20 WO disclosed
US-20140005399-A1 POLYCYCLIC AROMATIC COMPOUND KYOTO UNIVERSITY (JP) 2014-01-02 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 (2 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-20180047913-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 CYP2A6 3878/4885CYP2B6 3599/4885CYP2E1 2484/4885
US-20190214575-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND LIGHTING DEVICE L1CAM, VDAC1, VDAC2 CYP2A6 3878/4885CYP2B6 3599/4885CYP2E1 2484/4885

“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.