SCHEMBL13852973

SCHEMBL13852973

c1ccc(N(c2ccccc2)c2ccc(-c3nc4n(c3-c3ccc(N(c5ccccc5)c5ccccc5)cc3)c3nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)n3c3nc(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)c(-c5ccc(N(c6ccccc6)c6ccccc6)cc5)n43)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TNK2 Q07912 1/20 0.36
▸ APP P05067 1/20 0.36
▸ PTGS2 P35354 4/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL13852998 0.87 TDP1 (0.36) ALDH1A1TDP1L3MBTL1KDM4EMAPT
SCHEMBL13852964 0.83 L3MBTL1 (0.42) ALDH1A1TDP1L3MBTL1KDM4EPTGS2
SCHEMBL13853001 0.83 L3MBTL1 (0.44) ALDH1A1TDP1L3MBTL1KDM4EPTGS2
SCHEMBL17879127 0.77 TDP1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL29634908 0.76 L3MBTL1 (0.57) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL275097 0.76 L3MBTL1 (0.57) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL12207629 0.76 L3MBTL1 (0.57) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL14447304 0.75 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL14447317 0.75 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL14447268 0.75 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8449989-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2013-05-28 — — US disclosed
US-8449989-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2013-05-28 — — US disclosed
US-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD (KR) 2009-05-14 — — US disclosed
US-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LG CHEM, LTD (KR) 2009-05-14 — — US disclosed
US-7455917-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2008-11-25 — — US disclosed
US-7455917-B2 Organic compound and organic light emitting device using the same LG CHEM, LTD. (KR) 2008-11-25 — — 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-20090121622-A1 NEW ORGANIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE SAME LEF1, CYBA, AOX1 ALDH1A1 391/4885TDP1 826/4885L3MBTL1 1076/4885

“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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