SCHEMBL11310071

SCHEMBL11310071

c1ccc(-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
XBP1 P17861 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 7/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 2/20 0.52
PKM P14618 3/20 0.48
HTT P42858 1/20 0.48
PTGS2 P35354 1/20 0.47
TSHR P16473 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GSK3A P49840 3/20 0.42
GSK3B P49841 3/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL715183 0.87 ALDH1A1 (0.43) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL28601600 0.87 ALDH1A1 (0.56) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL12176236 0.85 ALDH1A1 (0.46) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL11953125 0.84 ALDH1A1 (0.52) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL5012603 0.84 ALDH1A1 (0.52) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL715857 0.84 MAPT (0.44) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL5010875 0.84 MAPK1 (0.59) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL14132911 0.84 ALDH1A1 (0.44) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL10205946 0.84 ALDH1A1 (0.69) MAPTKDM4EXBP1MAPK1ALDH1A1
SCHEMBL11953122 0.84 NOTUM (0.52) MAPTKDM4EALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104649949-B A kind of pure organic D- π-A type light-sensitive coloring agents and its preparation method and application 南京信息工程大学 2018-06-01 CN claimed
CN-104649949-A Pure organic D-pi-A type photosensitive dye as well as preparation method and application thereof UNIV NANJING INF SCI & TECH 2015-05-27 CN claimed
CN-116403638-A Design method of fluorescent probe for protein detection 北京理工大学 2023-07-07 CN disclosed
US-11367841-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-21 US disclosed
US-20200280004-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-03 US disclosed
US-10700296-B2 Heterocyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-30 US disclosed
CN-104649949-B A kind of pure organic D- π-A type light-sensitive coloring agents and its preparation method and application 南京信息工程大学 2018-06-01 CN disclosed
US-20180130965-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-10 US disclosed
US-20180130965-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-10 US disclosed
US-20170158718-A9 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-06-08 US disclosed
CN-104649949-A Pure organic D-pi-A type photosensitive dye as well as preparation method and application thereof UNIV NANJING INF SCI & TECH 2015-05-27 CN disclosed
CN-104649949-A Pure organic D-pi-A type photosensitive dye as well as preparation method and application thereof UNIV NANJING INF SCI & TECH 2015-05-27 CN disclosed
CN-101948463-A Method for synthesizing substituted pyrrole by cycloaddition reaction of 1, 3-diyne and primary amine UNIV TSINGHUA 2011-01-19 CN disclosed
US-4250053-A WITH FLUORESCENT COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-02-10 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 (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-10700296-B2 Heterocyclic compound and organic electroluminescence device including the same ODC1, KCNC1, KCNH1 MAPT 2666/4885KDM4E 2556/4885XBP1 1502/4885
US-20180130965-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 MAPT 2666/4885KDM4E 2556/4885XBP1 1502/4885
US-20170158718-A9 TITANIUM (IV) COMPOUNDS AND METHODS OF FORMING HETEROCYCLIC COMPOUNDS USING SAME TERT, PIK3C3, TPI1 MAPT 4334/4885KDM4E 34/4885XBP1 4763/4885
US-20200280004-A1 HETEROCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME ODC1, KCNC1, KCNH1 MAPT 2666/4885KDM4E 2556/4885XBP1 1502/4885
US-11367841-B2 Heterocyclic compound and organic electroluminescence device including the same ODC1, KCNC1, KCNH1 MAPT 2666/4885KDM4E 2556/4885XBP1 1502/4885

“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.