SCHEMBL17406166

SCHEMBL17406166

c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4c4c5ccccc5n(-c5ccccn5)c4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 4/20 0.34
PPARG P37231 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 2/20 0.33
DPP4 P27487 1/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 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
SCHEMBL17405915 1.00 KDM4E (0.36) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL17405772 0.94 ALDH1A1 (0.38) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL17405374 0.94 ALDH1A1 (0.38) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL16275491 0.94 ALDH1A1 (0.38) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL16275733 0.94 ALDH1A1 (0.38) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL17405358 0.93 ALDH1A1 (0.37) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL17406084 0.93 ALDH1A1 (0.37) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL17405517 0.90 HTT (0.36) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17405629 0.89 HTT (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL17405719 0.89 HTT (0.35) KDM4EALDH1A1HSD17B10MEN1KMT2A

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 KDM4E 1073/4885ATM 3700/4885L3MBTL1 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.