SCHEMBL21089302

SCHEMBL21089302

Nc1ccccc1-c1nc2c(-c3ccccc3)cc(-c3cccc(-c4ccccc4)c3)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PIK3CA P42336 2/20 0.43
PI4KA P42356 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
PDCD1 Q15116 2/20 0.42
CD274 Q9NZQ7 2/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
PKM P14618 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
SCHEMBL21089475 0.97 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089682 0.89 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089321 0.89 MAPT (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089486 0.88 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089501 0.86 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089456 0.86 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089299 0.84 HSD17B1 (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089192 0.83 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL21089671 0.82 RAB9A (0.40) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL22663964 0.80 PIK3CA (0.41) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT

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.