SCHEMBL21397071

SCHEMBL21397071

N#Cc1cc(-c2cccc(-c3ccc(-n4c5ccccc5c5ccccc54)nc3)c2)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PLAUR Q03405 1/20 0.36
CYP11B2 P19099 3/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP11B1 P15538 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGER4 P35408 1/20 0.35
USP30 Q70CQ3 1/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVR1B P36896 2/20 0.34
ACVRL1 P37023 2/20 0.34
ACVR1 Q04771 2/20 0.34
CNR2 P34972 2/20 0.34
FLT3 P36888 1/20 0.34
MAP4K4 O95819 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL21396977 0.96 ALDH1A1 (0.40) ALDH1A1NPSR1TDP1PLAURCYP11B2
SCHEMBL21397073 0.93 CYP11B1 (0.41) ALDH1A1NPSR1TDP1CYP11B2KDM4E
SCHEMBL21397072 0.87 NPSR1 (0.36) ALDH1A1NPSR1TDP1PLAURCYP11B2
SCHEMBL21397068 0.86 ALDH1A1 (0.35) ALDH1A1NPSR1TDP1CYP11B2CYP11B1
SCHEMBL21396715 0.83 ALDH1A1 (0.38) ALDH1A1NPSR1TDP1PLAURCNR2
SCHEMBL19062209 0.83 IMPDH2 (0.43) ALDH1A1NPSR1TDP1KDM4EL3MBTL1
SCHEMBL21396669 0.81 CNR2 (0.39) ALDH1A1NPSR1TDP1PLAURKDM4E
SCHEMBL16089807 0.80 CNR2 (0.37) ALDH1A1CYP11B2KDM4ECYP11B1L3MBTL1
SCHEMBL16089809 0.80 CNR2 (0.37) ALDH1A1CYP11B2KDM4ECYP11B1L3MBTL1
SCHEMBL21397069 0.80 ALDH1A1 (0.39) ALDH1A1NPSR1TDP1CYP11B2KDM4E

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 825/4885NPSR1 2986/4885TDP1 1706/4885

“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.