SCHEMBL13320962

SCHEMBL13320962

c1ccc(N(c2ccccn2)c2cc3cccc4c(N(c5ccccc5)c5ccccn5)cc5cccc2c5c34)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.33
CYP1A2 P05177 2/20 0.33
ERBB2 P04626 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
AHR P35869 1/20 0.33
HDAC6 Q9UBN7 2/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
OPRK1 P41145 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 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
SCHEMBL13321039 0.88 ALDH1A1 (0.36) ALDH1A1MAOAHDAC6MAPTKDM4E
SCHEMBL27365758 0.83 CYP17A1 (0.34) ALDH1A1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL16484713 0.83 SIGMAR1 (0.41) ALDH1A1HDAC6MAPTKDM4ELMNA
SCHEMBL25028135 0.83 ALDH1A1 (0.34) ALDH1A1CYP1A2ERBB2FYNMAOA
SCHEMBL13089925 0.82 CYP1A2 (0.42) ALDH1A1CYP1A2ERBB2FYNMAOA
SCHEMBL13320960 0.82 MAOA (0.35) ALDH1A1MAOAHDAC6MAPTKDM4E
SCHEMBL13321045 0.82 ALDH1A1 (0.35) ALDH1A1MAOAHDAC6KDM4ELMNA
SCHEMBL2837145 0.82 MAOA (0.35) ALDH1A1MAOAHDAC6MAPTKDM4E
SCHEMBL27366598 0.81 ALDH1A1 (0.36) ALDH1A1MAOAHDAC6KDM4ELMNA
SCHEMBL27366198 0.81 DHODH (0.43) ALDH1A1CYP1A2AHRMAPTKDM4E

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
WO-2024035190-A1 ORGANIC LIGHT-EMITTING DIODE AND ORGANIC COMPOUND 솔루스첨단소재 주식회사 2024-02-15 WO disclosed
US-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-05-06 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-20100109517-A1 PYRENE POLYMER COMPOUND AND LIGHT EMITTING DEVICE USING THE SAME TERB1, AHR, CYP1A1 ALDH1A1 1933/4885CYP1A2 21/4885ERBB2 1233/4885

“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.