SCHEMBL24802256

SCHEMBL24802256

c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3nc(-c4ccc5c(c4)sc4cc6ccccc6cc45)c4ccccc4n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 3/20 0.42
SCN9A Q15858 3/20 0.35
ESR1 P03372 2/20 0.35
ESR2 Q92731 2/20 0.35
ADORA2A P29274 5/20 0.34
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
LIMK1 P53667 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL24802378 0.93 NUDT1 (0.42) NUDT1SCN9AESR1ESR2ADORA2A
SCHEMBL24255932 0.92 NUDT1 (0.45) NUDT1SCN9AADORA2APIK3CAPI4KA
SCHEMBL23609664 0.88 MEN1 (0.45) ESR1ESR2MEN1KMT2AATM
SCHEMBL23609654 0.87 MEN1 (0.44) MEN1KMT2AATMMAPTKDM4E
SCHEMBL23609737 0.86 NUDT1 (0.34) NUDT1SCN9A
SCHEMBL24802383 0.86 NUDT1 (0.37) NUDT1SCN9AESR1ESR2ADORA2A
SCHEMBL24801491 0.84 MEN1 (0.39) ADORA2AMEN1KMT2AATMMAPT
SCHEMBL24802745 0.83 NUDT1 (0.36) NUDT1SCN9AESR1ESR2
SCHEMBL24802307 0.83 NUDT1 (0.36) NUDT1SCN9AESR1ESR2
SCHEMBL19546392 0.80 LIMK1 (0.38) ESR1ESR2PIK3CAPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220411411-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT LT MATERIALS CO.,LTD. (KR) 2022-12-29 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 (1 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-20220411411-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING ELEMENT, AND METHOD FOR PRODUCING ORGANIC LIGHT-EMITTING ELEMENT CRY1, ODC1, ORC3 NUDT1 515/4885SCN9A 1277/4885ESR1 99/4885

“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.