SCHEMBL10000589

SCHEMBL10000589

Cc1ccccc1-c1ncc(-c2cccc3ccccc23)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.48
XDH P47989 1/20 0.43
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
LMNA P02545 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
AR P10275 1/20 0.39
KDM5A P29375 1/20 0.38
GRM5 P41594 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 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
SCHEMBL10027996 0.84 MCL1 (0.45) MCL1XDHLMNAARKDM4E
SCHEMBL10000591 0.79 ALDH1A1 (0.61) MCL1XDHCA12CA9CA1
SCHEMBL10000590 0.76 MCL1 (0.53) MCL1CA12CA9CA1CA2
SCHEMBL10000575 0.76 ALDH1A1 (0.48) MCL1XDHLMNAGRM5NPSR1
SCHEMBL15856557 0.74 MCL1 (0.52) MCL1XDHCA12CA9CA1
SCHEMBL16122471 0.73 MCL1 (0.52) MCL1XDHCA12CA9CA1
SCHEMBL10000554 0.72 LMNA (0.48) LMNAKDM5ACYP1A2CYP2C9CYP2C19
SCHEMBL10000592 0.72 CA12 (0.49) CA12CA9CA1CA2LMNA
SCHEMBL10000593 0.71 CA12 (0.43) CA12CA9CA1CA2CYP2C9
SCHEMBL10028254 0.71 ALDH1A1 (0.45) NPSR1CYP1A2CYP2C9CYP2C19KDM4E

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 MCL1 1146/4885XDH 1027/4885CA12 2551/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 MCL1 1146/4885XDH 1027/4885CA12 2551/4885

“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.