SCHEMBL717381

SCHEMBL717381

CCOc1cccc(-n2cc(C(Nc3ccc(C(=O)OC)cc3)C3CCCCC3)c(CC)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 5/20 0.39
DGAT1 O75907 1/20 0.38
RCE1 Q9Y256 1/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 1/20 0.38
NOTUM Q6P988 1/20 0.37
ALDH1A1 P00352 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.36
AURKA O14965 2/20 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
SCHEMBL720050 0.92 RCE1 (0.46) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL720758 0.90 DGAT1 (0.41) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL720988 0.88 DGAT1 (0.41) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL721158 0.87 GCG (0.39) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL719347 0.87 GCG (0.49) RAB9ASMN1; SMN2HPGDDGAT1
SCHEMBL720065 0.85 DGAT1 (0.44) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL717909 0.85 DGAT1 (0.42) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL717215 0.85 RAB9A (0.37) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL717300 0.84 DGAT1 (0.41) RAB9ASMN1; SMN2HPGDMEN1KMT2A
SCHEMBL3399863 0.83 KMT2A (0.38) SMN1; SMN2MEN1KMT2AMAPTRCE1

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 RAB9A 2454/4885SMN1; SMN2 1051/4885HPGD 486/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP RAB9A 2454/4885SMN1; SMN2 1051/4885HPGD 486/4885

“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.