SCHEMBL22456582

SCHEMBL22456582

CP(=O)(c1ccccc1)c1ccc2c3ccc(-c4ccccn4)cc3c3nc4c5ccccc5ccc4n3c2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.37
CYP2C9 P11712 2/20 0.33
NPY5R Q15761 1/20 0.33
DHODH Q02127 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP1B1 Q16678 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGES O14684 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32

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
SCHEMBL22456584 0.88 TSPO (0.32) PTGESTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22456739 0.84 ESR1 (0.33) KDM4ETP53MAPTNPSR1TUBB4A
SCHEMBL22456735 0.81 TUBB4A (0.34) METAP2PTGESTUBB4ATUBBTUBA3C
SCHEMBL22456523 0.79 TUBB4A (0.34) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL22456795 0.78 MAPT (0.34) CYP2C9CYP1A2CYP1B1ALDH1A1MAPT
SCHEMBL22456525 0.77 TSPO (0.32) KDM4EALDH1A1HPGDTUBB4ATUBB
SCHEMBL22456747 0.76 TUBB4A (0.33) CYP1A2MAPTTUBB4ATUBBTUBA3C
SCHEMBL22456736 0.75 PTGES (0.32) CYP1A2MAPTPTGESTUBB4ATUBB
SCHEMBL19960009 0.75 METAP2 (0.40) METAP2CYP2C9DHODHKDM4EALDH1A1
SCHEMBL28093343 0.71 LMNA (0.50) DHODHCYP1A1CYP1A2CYP1B1KDM4E

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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2020-09-24 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-20200303661-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME NR2E3, NR2E1, NOX1 METAP2 4161/4885CYP2C9 198/4885NPY5R 309/4885

“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.