SCHEMBL720233

SCHEMBL720233

CCOC(=O)CCNC(=O)c1ccc(NC(CC(C)C)c2oc3ccc(OC)cc3c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TSHR P16473 1/20 0.44
KMT2A Q03164 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
HIF1A Q16665 1/20 0.39
MAOA P21397 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
SCHEMBL721777 0.91 NPC1 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL721057 0.89 MAOB (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL718632 0.88 NPC1 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL719312 0.88 SMN1; SMN2 (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL717086 0.87 NPC1 (0.46) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL719143 0.86 NPC1 (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL716349 0.85 KMT2A (0.45) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL719322 0.83 KMT2A (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL717999 0.80 GCGR (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL718173 0.79 CASP3 (0.43) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
US-20120053173-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-01 US disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 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 (2 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 KDM4E 1907/4885ALDH1A1 504/4885NPC1 902/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP KDM4E 1907/4885ALDH1A1 504/4885NPC1 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.