SCHEMBL12876887

SCHEMBL12876887

COC(=O)c1ccc(Cc2nc(-c3cccc(C)c3)sc2C2CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.45
▸ LMNA P02545 5/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ PPARG P37231 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ MAPK14 Q16539 1/20 0.41
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CCNA1 P78396 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL12876889 0.89 PPARG (0.44) MAPTLMNAKDM4EALDH1A1GAA
SCHEMBL1198310 0.87 MAPT (0.46) MAPTLMNAKDM4EKMT2AALDH1A1
SCHEMBL12876904 0.85 MAPT (0.54) MAPTLMNAKDM4EKMT2AALDH1A1
SCHEMBL12875944 0.82 L3MBTL1 (0.46) MAPTLMNAKDM4EALDH1A1PPARG
SCHEMBL12875949 0.80 PPARG (0.41) MAPTLMNAKMT2AALDH1A1MEN1
SCHEMBL12876896 0.78 MAPT (0.56) MAPTKMT2AALDH1A1MEN1RAB9A
SCHEMBL12876982 0.77 HDAC6 (0.56) MAPTLMNAKDM4EKMT2AALDH1A1
SCHEMBL12876884 0.76 MEN1 (0.40) MAPTKMT2AALDH1A1MEN1PPARG
SCHEMBL1198131 0.74 ALDH1A1 (0.52) MAPTKDM4EKMT2AALDH1A1MEN1
SCHEMBL12877012 0.74 SYK (0.47) MAPTLMNAKDM4EKMT2AALDH1A1

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-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

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 MAPT 4667/4885LMNA 2086/4885KDM4E 1877/4885

“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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