SCHEMBL22255656

SCHEMBL22255656

c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccc6ccccc6c5-c5ccccc5)cc4)c4cccc5sc6ccccc6c45)c3)cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.31
NQO2 P16083 1/20 0.31
PTPN1 P18031 1/20 0.31
F9 P00740 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ABCB1 P08183 1/20 0.30

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
SCHEMBL22255652 0.96 S1PR5 (0.32) NQO1NQO2GPR84
SCHEMBL22255655 0.95 NQO1 (0.32) NQO1NQO2PTPN1F9GPR84
SCHEMBL21206078 0.95 NQO1 (0.32) NQO1NQO2PTPN1F9GPR84
SCHEMBL21203307 0.95 NQO1 (0.32) NQO1NQO2PTPN1F9GPR84
SCHEMBL22255653 0.94 S1PR5 (0.33) NQO1NQO2PTPN1F9GPR84
SCHEMBL22255618 0.92 F9 (0.33) NQO1NQO2F9
SCHEMBL22255649 0.91 F9 (0.34) NQO1NQO2F9CA12CA1
SCHEMBL21206083 0.91 F9 (0.34) NQO1NQO2F9CA12CA1
SCHEMBL22255620 0.90 F9 (0.32) NQO1NQO2F9
SCHEMBL22255654 0.90 F9 (0.32) NQO1NQO2F9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-07-23 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-20200235297-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MONOAMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC18A2, SLC18A1, MAOA NQO1 533/4885NQO2 2311/4885PTPN1 4616/4885

“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.