SCHEMBL17636635

SCHEMBL17636635

c1ccc(-c2nnn(-c3cccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c34)c2-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
TP53 P04637 1/20 0.34
IL1R1 P14778 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 2/20 0.34
ALDH1A1 P00352 1/20 0.34
DHODH Q02127 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
MAPK1 P28482 1/20 0.33
MGAM O43451 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
SCHEMBL21532772 0.92 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL17636817 0.88 TDO2 (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL17636687 0.88 L3MBTL1 (0.39) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL21532362 0.88 NPC1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL21532224 0.88 NPC1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL21532476 0.88 L3MBTL1 (0.35) NPC1RAB9ASMN1; SMN2L3MBTL1KDM4E
SCHEMBL21532456 0.87 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL21532233 0.87 NPC1 (0.33) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL17636646 0.87 MAPT (0.39) NPC1RAB9AL3MBTL1MAPTGAA
SCHEMBL21532210 0.87 NPC1 (0.32) NPC1RAB9ASMN1; SMN2

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-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-9960365-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-05-01 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 US disclosed
US-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-03-31 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-20160093811-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, CCNA1 NPC1 2223/4885RAB9A 3555/4885SMN1; SMN2 3082/4885

“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.