SCHEMBL21691613

SCHEMBL21691613

N#Cc1ccccc1-c1cc(-c2cccc3c2sc2ccccc23)cc(-c2cccc3sc4ccccc4c23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
PARP14 Q460N5 1/20 0.36
ESR2 Q92731 1/20 0.36
GPR3 P46089 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
PRKDC P78527 3/20 0.34
GABRG2 P18507 4/20 0.34
GABRB3 P28472 4/20 0.34
GABRA1 P14867 3/20 0.34
GABRA2 P47869 3/20 0.34
TNKS O95271 2/20 0.33
TNKS2 Q9H2K2 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
SLC9A1 P19634 1/20 0.33
BRDT Q58F21 2/20 0.32
PIK3CD O00329 1/20 0.32
BRD4 O60885 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 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
SCHEMBL21692439 0.99 ALOX5 (0.46) ALOX5PARP14ESR2GPR3SLC22A12
SCHEMBL21693180 0.95 ALOX5 (0.46) ALOX5PARP14ESR2GPR3SLC22A12
SCHEMBL21692436 0.95 ALOX5 (0.45) ALOX5PARP14ESR2GPR3SLC22A12
SCHEMBL21691624 0.93 ALOX5 (0.45) ALOX5PARP14GPR3SLC22A12PRKDC
SCHEMBL21691662 0.92 ESR2 (0.38) ALOX5ESR2GPR3SLC22A12GABRG2
SCHEMBL21693065 0.92 ALOX5 (0.54) ALOX5PARP14ESR2GPR3SLC22A12
SCHEMBL21692335 0.92 ESR2 (0.41) ALOX5ESR2GPR3SLC22A12GABRG2
SCHEMBL21691783 0.91 ALOX5 (0.39) ALOX5PARP14ESR2SLC22A12GABRG2
SCHEMBL21691655 0.91 ALOX5 (0.52) ALOX5PARP14ESR2GPR3SLC22A12
SCHEMBL21692342 0.91 ESR2 (0.41) ALOX5ESR2GPR3SLC22A12GABRG2

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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound SAMSUNG ELECTRONICS CO., LTD. (KR) 2021-07-06 US disclosed
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND SAMSUNG SDI CO., LTD. (KR) 2020-01-30 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-11053228-B2 Condensed cyclic compound, composition including the condensed cyclic compound, and organic light-emitting device including the condensed cyclic compound CCNL2, ARL1, CRY1 ALOX5 2220/4885PARP14 1715/4885ESR2 77/4885
US-20200031812-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE CONDENSED CYCLIC COMPOUND CCNL2, ARL1, CRY1 ALOX5 2220/4885PARP14 1715/4885ESR2 77/4885

“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.