SCHEMBL10000575

SCHEMBL10000575

Cc1c(-c2ncc(-c3ccccc3)cc2C#N)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
KDM4E B2RXH2 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
XDH P47989 2/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 4/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
KDR P35968 2/20 0.39
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HTT P42858 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
SCHEMBL10028254 0.84 ALDH1A1 (0.45) ALDH1A1TDP1NPSR1KDM4EL3MBTL1
SCHEMBL10000557 0.78 KDM4E (0.42) ALDH1A1KDM4EL3MBTL1XDHMAPT
SCHEMBL10000579 0.78 CAMKK2 (0.43) ALDH1A1KDM4EKMT2AHPGDLMNA
SCHEMBL10000569 0.76 PDE4B (0.50) ALDH1A1KDM4EXDHMAPTKMT2A
SCHEMBL7215664 0.76 ALDH1A1 (0.67) ALDH1A1TDP1NPSR1KDM4EL3MBTL1
SCHEMBL10000589 0.76 MCL1 (0.48) ALDH1A1TDP1NPSR1KDM4EXDH
SCHEMBL10000563 0.75 KDM4E (0.41) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL7092833 0.72 ALDH1A1 (0.65) ALDH1A1TDP1NPSR1KDM4EL3MBTL1
SCHEMBL10027996 0.71 MCL1 (0.45) ALDH1A1KDM4EXDHGAAHPGD
SCHEMBL20407126 0.70 ESR2 (0.51) ALDH1A1KDM4EXDHMAPTMAPK1

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 ALDH1A1 122/4885TDP1 2966/4885NPSR1 3771/4885
US-20120012824-A1 METAL COMPLEX COMPOUND AND ORGANIC LIGHT EMITTING DIODE DEVICE INCLUDING THE SAME AP1M1, MT-CO1, AP2M1 ALDH1A1 122/4885TDP1 2966/4885NPSR1 3771/4885

“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.