SCHEMBL10028261

SCHEMBL10028261

COc1cc2ccccc2cc1-c1nccnc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
USP8 P40818 6/20 0.40
USP7 Q93009 3/20 0.40
SCN9A Q15858 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HPGDS O60760 1/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
NQO1 P15559 1/20 0.38
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL10000613 0.81 CHEK1 (0.36) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10027747 0.74 NPC1 (0.44) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL10028262 0.73 KDM4E (0.51) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL28232454 0.72 NQO1 (0.60) MEN1RAB9AKMT2AALDH1A1HPGD
SCHEMBL2056993 0.71 HPGD (0.56) MEN1KMT2AALDH1A1HPGDADORA2A
SCHEMBL25481884 0.69 MAOA (0.45) KMT2AALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL16258603 0.69 PDGFRB (0.50) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL27890174 0.68 PDE5A (0.46) NPC1RAB9AALDH1A1HPGDHSD17B10
SCHEMBL10822944 0.68 AR (0.57) ALDH1A1HPGDNQO1KDM4E
SCHEMBL3179011 0.68 PLCG1 (0.47) MEN1NPC1RAB9AKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2015-11-26 US disclosed
US-9096529-B2 Metal complex compound and organic light emitting diode device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-04 US disclosed
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME SAMSUNG MOBILE DISPLAY CO., LTD. (KR) 2012-01-19 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 (2 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-20150340628-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 MEN1 123/4885NPC1 1702/4885RAB9A 720/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 MEN1 123/4885NPC1 1702/4885RAB9A 720/4885

“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.