SCHEMBL21149174

SCHEMBL21149174

c1ccc(-c2nc(-c3cc4ccccc4c4ccccc34)nc(-c3cccc4sc5ccccc5c34)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 4/20 0.40
TSHR P16473 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CASP1 P29466 1/20 0.40
HIF1A Q16665 1/20 0.40
CYP11B1 P15538 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ATM Q13315 2/20 0.37
TP53 P04637 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ADORA2A P29274 2/20 0.35
ADORA1 P30542 2/20 0.35

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
SCHEMBL21149173 0.97 ALDH1A1 (0.38) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL24306432 0.95 CYP11B1 (0.40) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL21148500 0.94 ALDH1A1 (0.37) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL24306884 0.94 TSHR (0.37) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL24306465 0.94 CYP11B1 (0.39) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL24306878 0.94 ALDH1A1 (0.37) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL24306441 0.94 L3MBTL1 (0.39) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL21149241 0.93 ALDH1A1 (0.45) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL21149175 0.93 ALDH1A1 (0.45) ALDH1A1HPGDTSHRL3MBTL1MAPK1
SCHEMBL22880385 0.93 TSHR (0.36) ALDH1A1HPGDTSHRL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO LTD (KR) 2023-10-12 US disclosed
US-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2019-07-11 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 (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-20190214573-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 ALDH1A1 191/4885HPGD 1901/4885TSHR 4360/4885
US-20230329097-A1 COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE OR10J3, OCIAD2, OCIAD1 ALDH1A1 191/4885HPGD 1901/4885TSHR 4360/4885

“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.