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SCHEMBL1198271

SCHEMBL1198271

CCOC(=O)c1cnn(Cc2nc(-c3cccc(C=Cc4ccccc4)c3)cs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 4/20 0.41
▸ GAA P10253 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKT1 P31749 1/20 0.41
▸ CNKSR1 Q969H4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ NPC1 O15118 3/20 0.39

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
SCHEMBL1198270 1.00 ALDH1A1 (0.41) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL12875974 0.91 L3MBTL1 (0.41) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL1198553 0.90 ALDH1A1 (0.44) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL1198349 0.89 ALDH1A1 (0.49) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL1197722 0.88 HDAC3 (0.43) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL1197723 0.88 HDAC3 (0.43) ALDH1A1MAPTL3MBTL1KDM4EMEN1
SCHEMBL1198725 0.88 KDM4E (0.42) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL1198724 0.88 KDM4E (0.42) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL12875680 0.87 L3MBTL1 (0.44) ALDH1A1MAPTGAAL3MBTL1KDM4E
SCHEMBL1198768 0.87 MAPT (0.44) ALDH1A1MAPTGAAL3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 — — US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 — — EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 — — WO 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A ALDH1A1 1037/4885MAPT 4667/4885GAA 2090/4885

“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.