SCHEMBL258941

SCHEMBL258941

Nc1ccc(-c2ccc(N)c(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c2-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP3A4 P08684 4/20 0.58
TDP1 Q9NUW8 4/20 0.58
L3MBTL1 Q9Y468 3/20 0.58
MAPT P10636 3/20 0.58
KDM4E B2RXH2 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CRHBP P24387 1/20 0.35
ATM Q13315 1/20 0.35
CRHR2 Q13324 1/20 0.35
TLR9 Q9NR96 1/20 0.35
ACHE P22303 1/20 0.33
NCOA1 Q15788 1/20 0.33

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
SCHEMBL28260626 0.97 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL14890424 0.95 ALDH1A1 (0.48) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL27956574 0.88 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL30733429 0.88 ALDH1A1 (0.45) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL38925 0.86 HSD17B10 (0.54) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL9550986 0.86 HSD17B10 (0.54) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL651427 0.86 HSD17B10 (0.54) ALDH1A1CYP3A4TDP1MAPTKDM4E
SCHEMBL29475171 0.86 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL258852 0.86 ACHE (0.41) ALDH1A1CYP3A4TDP1L3MBTL1MAPT
SCHEMBL1727316 0.84 HSD17B10 (0.58) ALDH1A1CYP3A4TDP1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105009317-B Charge-transporting varnish 日产化学工业株式会社 2018-09-11 CN disclosed
US-9458182-B2 Silyl- and heteroatom-substituted compounds selected from carbazoles, dibenzofurans, dibenzothiophenes and dibenzophospholes, and use thereof in organic electronics BASF SE (DE) 2016-10-04 US disclosed
EP-2688889-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2014-01-29 EP disclosed
WO-2012130709-A1 4H-IMIDAZO[1,2-A]IMIDAZOLES FOR ELECTRONIC APPLICATIONS BASF SE (DE) 2012-10-04 WO disclosed
US-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2012-01-19 US disclosed
EP-2393819-A1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2011-12-14 EP disclosed
EP-2340579-A1 SILOLES SUBSTITUTED WITH CONDENSED RING SYSTEMS AND USE THEREOF IN ORGANIC ELECTRONICS OSRAM Opto Semiconductors GmbH (DE) 2011-07-06 EP disclosed
WO-2010079051-A1 SILYL AND HETEROATOM SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZO PHOSPHOLES AND THE APPLICATION THEREOF IN ORGANIC ELECTRONICS BASF SE (DE) 2010-07-15 WO disclosed
WO-2010040777-A1 SILOLES SUBSTITUTED WITH CONDENSED RING SYSTEMS AND USE THEREOF IN ORGANIC ELECTRONICS OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2010-04-15 WO 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 (1 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-20120012821-A1 SILYL- AND HETEROATOM-SUBSTITUTED COMPOUNDS SELECTED FROM CARBAZOLES, DIBENZOFURANS, DIBENZOTHIOPHENES AND DIBENZOPHOSPHOLES, AND USE THEREOF IN ORGANIC ELECTRONICS DDT, CDKL1, CDK2 ALDH1A1 750/4885CYP3A4 1170/4885TDP1 4370/4885

“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.