SCHEMBL22457005

SCHEMBL22457005

Clc1ccc(-c2ccc(-c3ccc4c(c3)c3ccccc3n3c5ccccc5nc43)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
HPGD P15428 6/20 0.47
KDM4E B2RXH2 6/20 0.47
BMX P51813 1/20 0.46
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.43
AHR P35869 1/20 0.40
FLT3 P36888 1/20 0.38
BCL2 P10415 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
SCHEMBL22457026 0.92 HPGD (0.50) ALDH1A1HPGDKDM4EBMXKMT2A
SCHEMBL10023429 0.92 KDM4E (0.54) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10023476 0.90 KDM4E (0.57) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10023510 0.90 KDM4E (0.57) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10041662 0.89 HPGD (0.49) ALDH1A1HPGDKDM4EBMXKMT2A
SCHEMBL10041722 0.88 KDM4E (0.47) ALDH1A1HPGDKDM4EBMXKMT2A
SCHEMBL10023226 0.88 KDM4E (0.55) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10023873 0.87 KDM4E (0.54) ALDH1A1HPGDKDM4EKMT2ASMN1; SMN2
SCHEMBL10023339 0.87 HPGD (0.53) ALDH1A1HPGDKDM4EBMXKMT2A
SCHEMBL22456993 0.87 KDM4E (0.48) ALDH1A1HPGDKDM4EBMXKMT2A

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 ALDH1A1 2038/4885HPGD 4184/4885KDM4E 2372/4885

“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.