SCHEMBL21089385

SCHEMBL21089385

Nc1ccccc1-c1nc2c(-c3cccc4ccccc34)cccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
KMT2A Q03164 2/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
KEAP1 Q14145 1/20 0.42
ALOX15 P16050 1/20 0.40
HTR2C P28335 4/20 0.39
DHFR P00374 1/20 0.39
LMNA P02545 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
SCHEMBL9718878 0.89 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089673 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089326 0.84 ALDH1A1 (0.44) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089206 0.84 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089384 0.82 NPC1 (0.42) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089192 0.82 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089682 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089501 0.80 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL10779720 0.80 ALDH1A1 (0.61) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1
SCHEMBL21089463 0.79 ALDH1A1 (0.41) ALDH1A1KDM4ESMN1; SMN2TDP1MEN1

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.