SCHEMBL26107

SCHEMBL26107

Brc1ccc(N(c2ccccc2)c2ccc3ccccc3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.54
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTPN1 P18031 1/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
TLR9 Q9NR96 1/20 0.36
INSR P06213 1/20 0.36

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
SCHEMBL30159 1.00 CYP2A6 (0.54) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL4224814 0.96 CYP2A6 (0.58) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL31122340 0.96 CYP2A6 (0.58) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL23204410 0.96 CYP2A6 (0.58) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL14849850 0.95 CYP2A6 (0.48) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL29992507 0.95 CYP2A6 (0.48) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL15449512 0.94 CYP2A6 (0.63) CYP2A6ALDH1A1TDP1L3MBTL1CYP1A2
SCHEMBL17402623 0.91 ALDH1A1 (0.52) CYP2A6ALDH1A1CYP1A2KDM4EMAPK1
SCHEMBL31122341 0.91 ALDH1A1 (0.52) CYP2A6ALDH1A1CYP1A2KDM4EMAPK1
SCHEMBL15906993 0.91 ALDH1A1 (0.52) CYP2A6ALDH1A1CYP1A2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023149718-A1 ORGANIC LIGHT-EMITTING ELEMENT INCLUDING HETEROCYCLIC COMPOUND, COMPOSITION FOR ORGANIC MATERIAL LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING ELEMENT 엘티소재주식회사 2023-08-10 WO disclosed
US-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE LT MATERIALS CO., LTD. (KR) 2023-02-23 US disclosed
US-11271175-B2 Organic electronic element comprising compound for organic electronic element, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2022-03-08 US disclosed
WO-2021132982-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE 엘티소재주식회사 2021-07-01 WO disclosed
CN-109851625-B Benzodithiophene derivative, preparation method, application and device thereof 湖北尚赛光电材料有限公司 2021-05-25 CN disclosed
US-10978644-B2 Organic compound and organic photoelectric conversion element including the same CANON KABUSHIKI KAISHA (JP) 2021-04-13 US disclosed
CN-107531712-B Compound and organic electronic device comprising the same 株式会社LG化学 2021-02-26 CN disclosed
US-20200235314-A1 ORGANIC ELECTRONIC ELEMENT COMPRISING COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2020-07-23 US disclosed
CN-109851625-A A kind of derivative of benzene thiophene and preparation method thereof, application and device 武汉尚赛光电科技有限公司 2019-06-07 CN disclosed
US-20190148644-A1 ORGANIC COMPOUND AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2019-05-16 US disclosed
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2011-03-03 US disclosed
CN-101857548-A Two-aromatic amino terminated dianthracene compound, preparation method and application thereof BEIJING AGLAIA TECHNOLOGY & DEV CO LTD 2010-10-13 CN disclosed
US-20100033088-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2010-02-11 US disclosed
EP-1725632-A4 NEW MATERIALS FOR INJECTING OR TRANSPORTING HOLES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME LG CHEMICAL LTD (KR) 2009-05-06 EP disclosed
CN-1906268-A New materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEMICAL LTD (KR) 2007-01-31 CN disclosed
EP-1725632-A1 NEW MATERIALS FOR INJECTING OR TRANSPORTING HOLES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME LG Chem, Ltd. (KR) 2006-11-29 EP disclosed
US-20060061265-A1 Aromatic amine derivative and organic electroluminescent element employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-03-23 US disclosed
US-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same LG CHEM, LTD. (KR) 2005-10-13 US disclosed
WO-2005090512-A1 NEW MATERIALS FOR INJECTING OR TRANSPORTING HOLES AND ORGANIC ELECTROLUMINESCENCE DEVICES USING THE SAME LG CHEM, LTD. (KR) 2005-09-29 WO disclosed
EP-1559706-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2005-08-03 EP 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 (7 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-10978644-B2 Organic compound and organic photoelectric conversion element including the same ORC3, KCNE1, CRY1 CYP2A6 405/4885ALDH1A1 728/4885TDP1 2713/4885
US-20100033088-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME TRPC1, ARL1, ORC3 CYP2A6 2402/4885ALDH1A1 430/4885TDP1 3748/4885
US-20230057581-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME, AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DIODE ORC3, ODC1, CRY1 CYP2A6 1515/4885ALDH1A1 262/4885TDP1 2904/4885
US-20060061265-A1 Aromatic amine derivative and organic electroluminescent element employing the same LUC7L2, ARL1, ASH2L CYP2A6 1960/4885ALDH1A1 770/4885TDP1 2219/4885
US-20110049490-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME TRPC1, TRPC4, LAGE3 CYP2A6 1103/4885ALDH1A1 470/4885TDP1 1600/4885
US-20050225235-A1 Materials for injecting or transporting holes and organic electroluminescence devices using the same SLCO4C1, SLC18A3, SLCO2A1 CYP2A6 1927/4885ALDH1A1 757/4885TDP1 2771/4885
US-20190148644-A1 ORGANIC COMPOUND AND ORGANIC PHOTOELECTRIC CONVERSION ELEMENT INCLUDING THE SAME ORC3, KCNE1, CRY1 CYP2A6 405/4885ALDH1A1 728/4885TDP1 2713/4885

“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.