SCHEMBL21089326

SCHEMBL21089326

Nc1ccccc1-c1nc2c(-c3cccc4ccccc34)ccc(-c3cccc4ccccc34)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
KEAP1 Q14145 1/20 0.41
ALOX15 P16050 1/20 0.39
HTR2C P28335 7/20 0.39
DHFR P00374 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL21089385 0.84 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL21089325 0.83 CYP1A2 (0.41) ALDH1A1KDM4EMAPTMEN1NPC1
SCHEMBL21089512 0.78 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL21089673 0.76 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL21089206 0.75 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL29521589 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL56035 0.74 ALDH1A1 (0.65) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL17856598 0.74 PARP14 (0.45) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL21089182 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT
SCHEMBL21089390 0.73 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2TDP1MAPT

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.