SCHEMBL21089673

SCHEMBL21089673

Nc1ccccc1-c1nc2c(-c3cccc4ccccc34)cc(-c3cccc4ccccc34)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LIMK1 P53667 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
KEAP1 Q14145 1/20 0.37
FDPS P14324 1/20 0.36
ALOX15 P16050 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL21089501 0.93 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089682 0.90 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089680 0.89 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089206 0.89 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089463 0.88 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089467 0.87 ALOX5 (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089443 0.87 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089491 0.85 PIM1 (0.40) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089385 0.85 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089672 0.85 MCL1 (0.39) KDM4ESMN1; SMN2TDP1MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-01-31 US disclosed
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LAPTO CO., LTD. (KR) 2019-06-13 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 (2 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-11569461-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device CHRM1, L1CAM, CHRM4 ALDH1A1 451/4885KDM4E 812/4885SMN1; SMN2 2913/4885
US-20190181358-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE CHRM1, L1CAM, CHRM4 ALDH1A1 451/4885KDM4E 812/4885SMN1; SMN2 2913/4885

“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.