SCHEMBL719361

SCHEMBL719361

Cc1c(C(Cl)C2CCCCC2)sc2cc(C(F)(F)F)ccc12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.34
HRH4 Q9H3N8 2/20 0.34
KCNH2 Q12809 1/20 0.32
NLRP3 Q96P20 1/20 0.32
PDE2A O00408 1/20 0.32
EPHX1 P07099 2/20 0.31
PIM1 P11309 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GABBR2 O75899 2/20 0.30
GABBR1 Q9UBS5 2/20 0.30
EPHX2 P34913 2/20 0.30
SCN4A P35499 1/20 0.30
IL1B P01584 1/20 0.30

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
SCHEMBL717697 0.90 KIF11 (0.33) CSNK1DKCNH2NLRP3PDE2AEPHX1
SCHEMBL723030 0.85 PDE2A (0.42) CSNK1DHRH4KCNH2NLRP3PDE2A
SCHEMBL716754 0.78 NPC1 (0.36) KCNH2MEN1KMT2A
SCHEMBL719872 0.76 PDE2A (0.42) CSNK1DKCNH2NLRP3PDE2AEPHX1
SCHEMBL719528 0.74 RCE1 (0.39) CSNK1DEPHX2
SCHEMBL14905704 0.73 CSNK1D (0.38) CSNK1DPDE2AEPHX1MEN1KMT2A
SCHEMBL3095589 0.73 MAPK11 (0.37) KCNH2PIM1MEN1KMT2AGABBR2
SCHEMBL14905661 0.71 CSNK1D (0.36) CSNK1DPDE2AEPHX1MEN1KMT2A
SCHEMBL14493687 0.70 EPHX2 (0.39) HRH4PDE2AMEN1KMT2AEPHX2
SCHEMBL17341211 0.69 EPHX2 (0.41) HRH4MEN1KMT2AEPHX2SCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CSNK1D 3327/4885HRH4 2307/4885KCNH2 2392/4885
US-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP CSNK1D 3327/4885HRH4 2307/4885KCNH2 2392/4885

“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.