SCHEMBL21397040

SCHEMBL21397040

N#Cc1ccc(-n2c3ccccc3c3ccccc32)cc1-c1cncc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP11B2 P19099 7/20 0.40
CYP11B1 P15538 6/20 0.40
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR3C1 P04150 1/20 0.35
CYP19A1 P11511 1/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA1 P14867 1/20 0.34
AR P10275 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.33
IMPDH2 P12268 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
SCHEMBL21396950 0.90 ALDH1A1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396647 0.86 CYP11B2 (0.38) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396978 0.86 CYP11B1 (0.40) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21397163 0.84 CYP11B2 (0.41) ALDH1A1HPGDMAPK1CYP11B2CYP11B1
SCHEMBL21022651 0.84 ALDH1A1 (0.43) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396649 0.84 CYP11B2 (0.36) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL19062211 0.83 KDM4E (0.47) ALDH1A1LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL21396937 0.82 CYP11B2 (0.38) CYP11B2CYP11B1KDM4EATML3MBTL1
SCHEMBL21397039 0.82 CYP11B2 (0.45) CYP11B2CYP11B1KDM4EATML3MBTL1
SCHEMBL20923227 0.81 LMNA (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.