SCHEMBL719544

SCHEMBL719544

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2oc3ccc(OCc4ccccc4)cc3c2C)C(C)C)cc1.Cc1c(C(Nc2ccc(C(=O)N(C)CCC(=O)O)cc2)C(C)C)oc2ccc(OCc3ccccc3)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LTB4R Q15722 3/20 0.37
LTB4R2 Q9NPC1 3/20 0.37
ATM Q13315 1/20 0.36

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
SCHEMBL719948 0.98 CASP3 (0.41) CASP3SENP8SENP7SENP6MAPT
SCHEMBL720636 0.95 CASP3 (0.44) CASP3SENP8SENP7SENP6MAPT
SCHEMBL719193 0.89 CASP3 (0.41) CASP3SENP8SENP7SENP6MAPT
SCHEMBL720091 0.89 GABRA1 (0.39) CASP3SENP8SENP7SENP6MAPT
SCHEMBL719561 0.88 MAPT (0.41) CASP3SENP8SENP7SENP6MAPT
SCHEMBL2669958 0.88 CASP3 (0.39) CASP3SENP8SENP7SENP6L3MBTL1
SCHEMBL721739 0.87 NPC1 (0.40) MAPTL3MBTL1NPC1RAB9AMEN1
SCHEMBL717066 0.87 CASP3 (0.45) CASP3SENP8SENP7SENP6MAPT
SCHEMBL719087 0.86 CASP3 (0.40) CASP3SENP8SENP7SENP6MAPT
SCHEMBL718137 0.86 KDM4E (0.36) MAPTL3MBTL1NPC1RAB9AMEN1

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 CASP3 489/4885SENP8 1677/4885SENP7 2664/4885

“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.