SCHEMBL17828847

SCHEMBL17828847

c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5c(-c6cccc7c6c6ccccc6n7-c6ccccc6)cccc54)c3)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
WHR1 P49842 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PDE10A Q9Y233 1/20 0.31
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
MAPK1 P28482 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL17828848 0.98 ATM (0.33) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17829040 0.98 KDM4E (0.35) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17828851 0.95 ALDH1A1 (0.37) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17829037 0.94 ALDH1A1 (0.33) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17828826 0.94 CYP1A1 (0.38) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17828823 0.93 ATM (0.34) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17828819 0.93 ALDH1A1 (0.35) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL17828850 0.93 CYP1A1 (0.37) ATMKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL18058347 0.93 ATM (0.35) ATMKDM4EL3MBTL1CYP1A1CYP1A2
SCHEMBL17829036 0.93 CYP1A1 (0.39) ATMKDM4EL3MBTL1ALDH1A1MAPT

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-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-9508939-B2 Compound and organic electroluminescent element produced using same IDEMITSU KOSAN CO., LTD. (JP) 2016-11-29 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed
US-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 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-20160172604-A1 NOVEL COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT PRODUCED USING SAME L1CAM, LEF1, EML4 ATM 2921/4885KDM4E 2236/4885L3MBTL1 271/4885

“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.