SCHEMBL721611

SCHEMBL721611

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2sc3ncccc3c2C)C2CCCCC2)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C2CCCCC2)sc2ncccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GCG P01275 2/20 0.34
KDM4E B2RXH2 2/20 0.33
HDAC6 Q9UBN7 4/20 0.33
NAMPT P43490 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
PDE7A Q13946 1/20 0.32

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
SCHEMBL716928 0.98 NPC1 (0.38) RCE1MAPTNPC1CYP1A2CYP2C9
SCHEMBL716440 0.94 RCE1 (0.41) RCE1MAPTNPC1CYP1A2CYP2C9
SCHEMBL722172 0.89 RCE1 (0.41) RCE1MAPTNPC1GCGKDM4E
SCHEMBL720850 0.87 GCGR (0.36) MAPTSMN1; SMN2GCGHDAC6NAMPT
SCHEMBL719238 0.87 RCE1 (0.41) RCE1MAPTNPC1KDM4EHDAC6
SCHEMBL721279 0.85 NAMPT (0.33) RCE1MAPTGCGNAMPTL3MBTL1
SCHEMBL717719 0.85 TP53 (0.36) MAPTSMN1; SMN2HDAC6NAMPTL3MBTL1
SCHEMBL718103 0.84 MEN1 (0.41) RCE1MAPTNPC1CYP1A2CYP2C9
SCHEMBL3401014 0.83 NAMPT (0.34) RCE1MAPTCYP1A2CYP2C9HPGD
SCHEMBL718563 0.83 NAMPT (0.34) RCE1MAPTCYP1A2CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 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-20120053173-A1 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RCE1 2661/4885MAPT 4533/4885NPC1 902/4885

“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.