SCHEMBL17445377

SCHEMBL17445377

c1ccc2c(c1)sc1ccc(-n3c4ccccc4c4c5c(c6ccccc6c43)c3ccccc3c3c5c4ccccc4n3-c3ccc4sc5ccccc5c4c3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.40
KDM4E B2RXH2 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
PTPN12 Q05209 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
TP53 P04637 2/20 0.32
POLB P06746 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL17445350 0.97 ATM (0.41) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL19046684 0.96 GPR3 (0.39) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL18435670 0.94 ATM (0.43) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL17245529 0.92 ATM (0.39) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL17123076 0.92 ATM (0.39) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL18416346 0.91 GPR3 (0.37) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL17245535 0.90 ATM (0.42) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL23741497 0.90 GPR3 (0.34) GPR3MAPTALDH1A1HPGDRAB9A
SCHEMBL26809818 0.89 KDM4E (0.39) GPR3KDM4EL3MBTL1ATMMAPT
SCHEMBL17228968 0.89 GPR3 (0.36) GPR3KDM4EMAPTALDH1A1HPGD

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-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-9780314-B2 Compound for organic electric element, organic electric element comprising the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2017-10-03 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 US disclosed
US-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2016-01-21 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-20160020408-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME AND ELECTRONIC DEVICE THEREOF OR51E2, NFE2L2, ORAI2 GPR3 4816/4885KDM4E 446/4885L3MBTL1 942/4885

“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.