SCHEMBL21392587

SCHEMBL21392587

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccncc5)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
HSP90AA1 P07900 1/20 0.62
MAPT P10636 1/20 0.62
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
ALDH1A1 P00352 7/20 0.53
GRIA1 P42261 1/20 0.51
CACNG8 Q8WXS5 1/20 0.51
CACNG2 Q9Y698 1/20 0.51
AOC3 Q16853 2/20 0.49
KCNH2 Q12809 1/20 0.49
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MDM2 Q00987 1/20 0.44
MAPK1 P28482 2/20 0.43
G6PD P11413 1/20 0.43

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
SCHEMBL24813297 0.99 ESR1 (0.60) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL26344564 0.96 MEN1 (0.60) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL25668052 0.95 MEN1 (0.58) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL26344375 0.94 MEN1 (0.56) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL22605107 0.94 MEN1 (0.56) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL2604831 0.93 ESR1 (0.67) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL14363285 0.93 ESR1 (0.67) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL2604851 0.93 ESR1 (0.67) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL25769062 0.93 ESR1 (0.67) MEN1KMT2AHSP90AA1MAPTESR1
SCHEMBL16003071 0.92 KMT2A (0.60) MEN1KMT2AHSP90AA1MAPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US disclosed
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-09-28 US disclosed
US-20190296238-A1 Organic Light-emitting Element LG CHEM, LTD. (KR) 2019-09-26 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 (3 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-20190296238-A1 Organic Light-emitting Element CRY1, CRY2, NR2E3 MEN1 1414/4885KMT2A 1198/4885HSP90AA1 4151/4885
US-20230309380-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS PIEZO1, OR10J3, TMEM109 MEN1 480/4885KMT2A 1864/4885HSP90AA1 3977/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 MEN1 1414/4885KMT2A 1198/4885HSP90AA1 4151/4885

“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.