SCHEMBL721063

SCHEMBL721063

CCCCCCC(Nc1ccc(C(=O)OC)cc1)c1cc2cc(Cl)ccc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
OXER1 Q8TDS5 4/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PHGDH O43175 4/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CASP1 P29466 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK8 P45983 1/20 0.36
LMNA P02545 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
SCHEMBL718652 0.91 OXER1 (0.48) OXER1RXFP1PHGDHPSEN1PSEN2
SCHEMBL3427810 0.84 GCG (0.39) OXER1RXFP1PHGDH
SCHEMBL27852299 0.83 ITGB3 (0.47)
SCHEMBL720029 0.83 GCGR (0.43) MAPT
SCHEMBL3397752 0.82 CCKBR (0.39) MAPTOXER1RXFP1PHGDHPSEN1
SCHEMBL716441 0.81 GCGR (0.53) MAPK8
SCHEMBL717614 0.81 CCKBR (0.38) MAPTOXER1RXFP1PHGDHPSEN1
SCHEMBL27834206 0.78 OXER1 (0.47) OXER1PHGDHMEN1KMT2A
SCHEMBL716934 0.73 GCGR (0.45) PHGDH
SCHEMBL719164 0.73 GCGR (0.55) MAPTOXER1

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 MAPT 4533/4885OXER1 2109/4885RXFP1 3336/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP MAPT 4533/4885OXER1 2109/4885RXFP1 3336/4885

“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.