SCHEMBL21397055

SCHEMBL21397055

N#Cc1cc(-n2c3ccccc3c3ccccc32)ccc1-c1ccc(-n2c3ccccc3c3ccccc32)nc1

nearest known ligand 0.40

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
CNR2 P34972 1/20 0.36
NR3C1 P04150 1/20 0.36
PLAUR Q03405 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGER4 P35408 1/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
RET P07949 1/20 0.33
EGLN1 Q9GZT9 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
SCHEMBL21396715 0.92 ALDH1A1 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397070 0.91 CYP11B1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396952 0.90 ALDH1A1 (0.39) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396721 0.90 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397067 0.88 ALDH1A1 (0.34) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397122 0.82 PTGER4 (0.36) ALDH1A1LMNAHPGDMAPK1NPSR1
SCHEMBL19062206 0.81 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396671 0.81 PTGER4 (0.40) ALDH1A1PTGER4KDM4EATML3MBTL1
SCHEMBL21396950 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL22378591 0.80 ALDH1A1 (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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.