SCHEMBL21397007

SCHEMBL21397007

N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1cccc(-c2ccc(-n3c4ccccc4c4ccccc43)cn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
GABRG2 P18507 7/20 0.36
GABRB3 P28472 7/20 0.36
GABRA1 P14867 6/20 0.36
GABRA5 P31644 5/20 0.36
GABRA3 P34903 5/20 0.36
GABRA2 P47869 4/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
WNT3A P56704 1/20 0.35
NR3C1 P04150 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
SLC6A9 P48067 1/20 0.33

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
SCHEMBL21396761 0.90 ALDH1A1 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396983 0.88 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397069 0.84 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397009 0.84 GABRA1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397005 0.83 ALDH1A1 (0.33) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396715 0.82 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22378368 0.82 SMN1; SMN2 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL24927509 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396982 0.81 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL24926887 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHPGDMAPK1SMN1; 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 ALDH1A1 825/4885LMNA 1449/4885HPGD 2339/4885

“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.