SCHEMBL13192425

SCHEMBL13192425

N#Cc1ccc(-c2ccc(-c3cc4c5ccccc5c(-c5ccc(-c6ccc(C#N)cc6)cc5)cc4c4ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
TNKS O95271 1/20 0.45
TSHR P16473 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
CYP11B2 P19099 1/20 0.43
KIF11 P52732 3/20 0.42
PDK2 Q15119 1/20 0.42
TDO2 P48775 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
METAP2 P50579 1/20 0.41
MAOB P27338 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MAOA P21397 1/20 0.39
XDH P47989 1/20 0.39

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
SCHEMBL13192001 0.98 TSHR (0.46) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13171012 0.94 TSHR (0.48) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13171090 0.91 MMP3 (0.42) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13192121 0.90 GABRA1 (0.44) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13192122 0.89 PRKDC (0.44) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13171073 0.89 TNKS (0.43) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL14066870 0.89 TNKS (0.43) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13192377 0.88 MAP4K4 (0.39) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL22155103 0.88 TNKS (0.40) MMP3TNKSTSHRGABRA1GABRG2
SCHEMBL13171003 0.88 CA1 (0.51) TNKSTSHRCA1CA2XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512137-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2016-12-06 US disclosed
US-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-10-11 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-20120256172-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLC25A11, SLCO4C1 MMP3 3626/4885TNKS 3480/4885TSHR 4421/4885

“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.