SCHEMBL20064197

SCHEMBL20064197

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc(-c5cccc6c5sc5c(-c7cccc8ccccc78)cc7ccccc7c56)c4)c3)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
MAPK1 P28482 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
TSHR P16473 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIMK1 P53667 1/20 0.36
CASP1 P29466 1/20 0.34
HIF1A Q16665 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ADORA2A P29274 1/20 0.33

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
SCHEMBL20064201 0.93 LIMK1 (0.40) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL21157053 0.92 LIMK1 (0.39) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL20064208 0.90 LIMK1 (0.39) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL20064206 0.85 L3MBTL1 (0.36) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL25023763 0.85 S1PR5 (0.36) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL21157891 0.85 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL21157805 0.85 ALDH1A1 (0.41) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL26473556 0.83 LIMK1 (0.38) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL19916891 0.83 LIMK1 (0.40) ALDH1A1HPGDMAPK1HSD17B10KDM4E
SCHEMBL21157800 0.83 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HSD17B10KDM4E

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-10741769-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2020-08-11 US disclosed
US-20180108847-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 US disclosed
US-20180108847-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2018-04-19 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-20180108847-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device NR2E3, NR0B1, NR2E1 ALDH1A1 277/4885HPGD 2686/4885MAPK1 1926/4885
US-10741769-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device NR2E3, NR0B1, NR2E1 ALDH1A1 277/4885HPGD 2686/4885MAPK1 1926/4885

“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.