SCHEMBL22177451

SCHEMBL22177451

c1ccc(-c2nc(-c3cccc4c3sc3ccccc34)nc(-c3cccc4sc5ccc(-c6nc7ccccc7o6)cc5c34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.41
NPC1 O15118 9/20 0.41
ALDH1A1 P00352 9/20 0.41
HPGD P15428 9/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
TP53 P04637 5/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
NFKB1 P19838 3/20 0.41
NFKB2 Q00653 3/20 0.41
RELA Q04206 3/20 0.41
STAT1 P42224 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 4/20 0.38
USP2 O75604 2/20 0.38
HCRTR1 O43613 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL22178031 0.98 KDM4E (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177905 0.97 KDM4E (0.40) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177482 0.96 NPC1 (0.38) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22736037 0.96 KDM4E (0.41) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177868 0.95 ALOX5 (0.39) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22736050 0.93 KDM4E (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177906 0.93 KDM4E (0.43) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177904 0.93 KDM4E (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22736051 0.93 KDM4E (0.44) KDM4ENPC1ALDH1A1HPGDRAB9A
SCHEMBL22177147 0.93 KDM4E (0.46) KDM4ENPC1ALDH1A1HPGDRAB9A

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-11518769-B2 Heterocyclic compounds and organic light emitting device using the same LG CHEM, LTD. (KR) 2022-12-06 US disclosed
US-20210020852-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2021-01-21 US disclosed
US-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD. (KR) 2020-07-02 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-20200207754-A1 NOVEL HETEROCYCLIC COMPOUNDS AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME CRY1, CRY2, CYP1A1 KDM4E 2374/4885NPC1 2337/4885ALDH1A1 18/4885
US-11518769-B2 Heterocyclic compounds and organic light emitting device using the same CRY1, CYP1A1, CRY2 KDM4E 3498/4885NPC1 2044/4885ALDH1A1 16/4885

“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.