SCHEMBL22456741

SCHEMBL22456741

Clc1cnc(-c2ccc3c4ccccc4c4nc5ccccc5n4c3c2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.46
KDM4E B2RXH2 8/20 0.46
HPGD P15428 6/20 0.46
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
MAPT P10636 5/20 0.41
LMNA P02545 4/20 0.41
POLB P06746 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
HTT P42858 1/20 0.38
TYMS P04818 1/20 0.38
BMX P51813 1/20 0.38
BCL2 P10415 1/20 0.36
ADORA2A P29274 1/20 0.35
GLA P06280 1/20 0.35

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 0.85 HPGD (0.50) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL10023590 0.84 KDM4E (0.58) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL19929014 0.83 HPGD (0.44) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL22456497 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL10041698 0.82 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL10023614 0.80 KDM4E (0.57) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL10023329 0.80 KDM4E (0.61) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL18069102 0.80 HPGD (0.48) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL22456993 0.80 KDM4E (0.48) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2
SCHEMBL27420011 0.80 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDKMT2ASMN1; SMN2

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 2038/4885KDM4E 2372/4885HPGD 4184/4885

“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.