SCHEMBL21165689

SCHEMBL21165689

c1ccc(-c2ccc(-n3c4ccccc4c4ccccc43)c(-c3ccccc3)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
APAF1 O14727 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
XBP1 P17861 1/20 0.38
PTBP1 P26599 1/20 0.38
RAB9A P51151 1/20 0.38
GALK1 P51570 1/20 0.38
BLM P54132 1/20 0.38
SMAD3 P84022 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21708988 0.95 TSPO (0.43) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL12856725 0.93 ATM (0.41) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL12856754 0.93 ATM (0.41) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL21147247 0.92 ALDH1A1 (0.46) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL27012163 0.92 CYP1A2 (0.46) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL24923755 0.91 ATM (0.41) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL21147414 0.91 MEN1 (0.38) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL25943950 0.91 L3MBTL1 (0.44) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL25671853 0.91 ATM (0.41) L3MBTL1ATMKDM4EALDH1A1HSD17B10
SCHEMBL25941308 0.91 ATM (0.41) L3MBTL1ATMKDM4EALDH1A1HSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-18 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-20190221750-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE SAME, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CRY1, CRY2, MCM4 L3MBTL1 2041/4885ATM 1310/4885KDM4E 3296/4885

“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.