SCHEMBL17405751

SCHEMBL17405751

c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7)c6c6sc7ccccc7c6c54)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ATM Q13315 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP19A1 P11511 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PDE1B Q01064 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE11A Q9HCR9 1/20 0.31
DHODH Q02127 1/20 0.31
LIMK1 P53667 1/20 0.31
IL1R1 P14778 1/20 0.30
LMNA P02545 1/20 0.30
TNKS O95271 1/20 0.30

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
SCHEMBL17405491 1.00 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17405483 1.00 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17405744 1.00 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17405798 0.97 KDM4E (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17406023 0.97 KDM4E (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17406031 0.97 KDM4E (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL17405804 0.97 KDM4E (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL16275908 0.96 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL16275593 0.96 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1
SCHEMBL16275738 0.96 L3MBTL1 (0.33) L3MBTL1KDM4EATMKMT2AMEN1

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 L3MBTL1 3718/4885KDM4E 1073/4885ATM 3700/4885

“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.