SCHEMBL22550709

SCHEMBL22550709

c1ccc(N(c2ccccc2)c2cc(N(c3ccccc3)c3ccccc3)nc(N(c3ccccc3)c3ccccc3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPT P10636 6/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL26028648 0.94 ALDH1A1 (0.44) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26028769 0.91 ALDH1A1 (0.45) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL23351082 0.86 MAPT (0.41) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26028657 0.86 ALDH1A1 (0.50) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL17051454 0.86 MAPT (0.45) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26028682 0.85 ALDH1A1 (0.46) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26028734 0.85 ALDH1A1 (0.38) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL24211120 0.83 MAPT (0.39) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26032937 0.82 MAPT (0.39) ALDH1A1TDP1MAPTL3MBTL1KDM4E
SCHEMBL26028677 0.82 ALDH1A1 (0.47) ALDH1A1TDP1MAPTL3MBTL1KDM4E

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
US-20230263047-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR LIGHT EMITTING ELEMENT SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-17 — — US disclosed
US-20200328352-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-15 — — 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 (2 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-20200328352-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, KCNC1, SLC25A21 ALDH1A1 485/4885TDP1 1698/4885MAPT 2006/4885
US-20230263047-A1 LIGHT EMITTING ELEMENT AND POLYCYCLIC COMPOUND FOR LIGHT EMITTING ELEMENT NR2E3, NFE2L2, CRY1 ALDH1A1 92/4885TDP1 2668/4885MAPT 3501/4885

“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.

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