SCHEMBL9890583

SCHEMBL9890583

c1ccc2c(c1)c1cccnc1n2-c1ccc2oc3ccc4oc5ccc(-n6c7ccccc7c7cccnc76)cc5c4c3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
NCOA1 Q15788 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE4D Q08499 3/20 0.32
PDE4A P27815 2/20 0.32
PDE4B Q07343 2/20 0.32
PDE4C Q08493 2/20 0.32
LDHA P00338 1/20 0.31
CHRNA7 P36544 1/20 0.31
KCNH2 Q12809 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 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
SCHEMBL30863907 0.94 NPC1 (0.40) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL15730368 0.94 NPC1 (0.40) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL15730370 0.93 NPC1 (0.40) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL23439035 0.92 MAPT (0.45) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL9890129 0.92 MAPT (0.39) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL9890440 0.91 MAPT (0.35) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL15730366 0.91 NPC1 (0.38) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL15730367 0.91 NPC1 (0.38) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL9890374 0.91 MAPT (0.38) NPC1MAPTNCOA1FEN1KDM4E
SCHEMBL9890562 0.90 MAPT (0.37) NPC1MAPTNCOA1FEN1KDM4E

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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2013-01-24 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 US disclosed
US-20120138915-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-07 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-20130020563-A1 POLYCYCLIC COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME KCNC1, EED, BMI1 NPC1 2467/4885MAPT 1303/4885NCOA1 1720/4885

“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.