SCHEMBL25850745

SCHEMBL25850745

N#Cc1ccc(-c2nc(-c3cccc(-c4cccc(-c5ccccc5)c4)c3)nc(-c3cccc(-c4cnc5c(ccc6cc(-c7ccccc7)cnc65)c4)c3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.54
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ABCG2 Q9UNQ0 8/20 0.45
ABCB1 P08183 5/20 0.45
RIPK1 Q13546 1/20 0.45
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP17A1 P05093 1/20 0.43
MAP4K4 O95819 1/20 0.43
ABCC1 P33527 2/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL27115738 0.95 PARP1 (0.55) PARP1GABRA1GABRG2GABRB3GABRA5
SCHEMBL20726898 0.90 PARP1 (0.53) PARP1KDM4ERIPK1CYP11B1CYP11B2
SCHEMBL20726737 0.89 PARP1 (0.51) PARP1KDM4EABCG2RIPK1CYP11B1
SCHEMBL21131954 0.86 ABCG2 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23383822 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23383804 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23383907 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23384194 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23383857 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL23383899 0.86 ABCG2 (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3

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-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 US disclosed
US-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2023-07-25 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-11711972-B1 Organic electronic element comprising compound for organic electronic element and an electronic device thereof PPOX, ESR1, CCNE2 PARP1 1212/4885GABRA1 4695/4885GABRG2 4575/4885

“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.