SCHEMBL21096876

SCHEMBL21096876

c1ccc2c(-c3ccc(N(c4ccc5c(c4)sc4ccccc45)c4cccc5c4sc4ccccc45)cc3)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.41
F9 P00740 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA9 Q16790 3/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MCL1 Q07820 1/20 0.34
ACMSD Q8TDX5 1/20 0.34
PRKDC P78527 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
GPR3 P46089 1/20 0.33
PARP14 Q460N5 1/20 0.32
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32

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
SCHEMBL21966025 0.97 F9 (0.39) ALOX5F9CA12CA1CA2
SCHEMBL24889459 0.95 ALOX5 (0.40) ALOX5F9CA12CA1CA2
SCHEMBL23238453 0.93 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL24029595 0.93 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL24887440 0.92 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL23225269 0.92 ALOX5 (0.41) ALOX5F9CA12CA1CA2
SCHEMBL24887443 0.92 ALOX5 (0.44) ALOX5F9CA12CA1CA2
SCHEMBL25732460 0.92 F9 (0.35) ALOX5F9CA12CA1CA2
SCHEMBL24962842 0.91 ALOX5 (0.43) ALOX5F9CA12CA1CA2
SCHEMBL26046003 0.91 ALOX5 (0.40) ALOX5F9CA12CA1CA2

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
EP-3521280-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 EP disclosed
US-20190189950-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-20 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-20190189950-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND AMINE COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE ODC1, PNMT, AOC2 ALOX5 1909/4885F9 2565/4885CA12 3756/4885

“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.