SCHEMBL17406038

SCHEMBL17406038

c1ccc(-n2c3ccccc3c3c4c5ccccc5sc4c4c(c5ccccc5n4-c4ccc5sc6ccccc6c5c4)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.37
KDM4E B2RXH2 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.35
MAPT P10636 6/20 0.34
RXFP1 Q9HBX9 2/20 0.34
GPR3 P46089 1/20 0.34
TP53 P04637 4/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN7 P35236 1/20 0.31
DUSP3 P51452 1/20 0.31
PTPN12 Q05209 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL17405814 1.00 ATM (0.37) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17405758 0.96 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17405499 0.96 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL16275634 0.94 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL16275928 0.94 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17406041 0.91 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17406209 0.91 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17405869 0.91 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17405811 0.91 ATM (0.38) ATMKDM4EL3MBTL1HSD17B10MAPT
SCHEMBL17405406 0.91 GPR3 (0.37) ATMKDM4EL3MBTL1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-9887367-B2 Heterocyclic compound, material for organic electroluminescent elements using same, organic electroluminescent element using same, and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-02-06 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 US disclosed
US-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-01-07 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 (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-20160005977-A1 HETEROCYCLIC COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME, ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME, AND ELECTRONIC DEVICE ODC1, NOTUM, OR10J3 ATM 3700/4885KDM4E 1073/4885L3MBTL1 3718/4885

“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.