SCHEMBL10003779

SCHEMBL10003779

CCOc1c(C(=O)NC2CCN(C(=O)CO)CC2)sc2nc(C)[nH]c(=O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 3/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ LMNA P02545 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ BTK Q06187 4/20 0.39
▸ TSHR P16473 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ POLB P06746 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL10004681 0.80 SMO (0.43) LMNAMAPTRXFP1TSHRL3MBTL1
SCHEMBL10004376 0.77 SMO (0.52) LMNAMAPTBTKTSHRKDM4E
SCHEMBL10003754 0.74 TSHR (0.49) LMNAGAAMAPTRXFP1PPARG
SCHEMBL10004185 0.73 MAPT (0.58) LMNAGAAMAPTRXFP1PPARG
SCHEMBL10004277 0.71 SMO (0.39) LMNARXFP1TSHRL3MBTL1POLB
SCHEMBL10004611 0.71 SMO (0.52) RXFP1TSHRKDM4E
SCHEMBL1062359 0.69 SMO (0.54) CHRM2LMNAMAPTKDM4EKMT2A
SCHEMBL1061250 0.67 SMO (0.62) LMNAMAPTBTKKMT2ACYP2C19
SCHEMBL4524089 0.65 MAPT (0.74) LMNAGAAMAPTRXFP1PPARG
SCHEMBL10003853 0.65 SMO (0.55) RXFP1TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471793-B1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-10-05 — — EP disclosed
US-8614208-B2 Fused heterocyclic ring derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-24 — — US disclosed
US-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-23 — — US disclosed
EP-2471793-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2012-07-04 — — EP 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-20120214795-A1 FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF SMO, GLI1, SHH CHRM4 4570/4885CHRM2 4700/4885LMNA 4452/4885

“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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