SCHEMBL4933013

SCHEMBL4933013

FC(F)(F)COc1ccc(-n2c(Cl)nc3ccc(Cl)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAP3K14 Q99558 1/20 0.35
LIPE Q05469 1/20 0.35
CACNA1B Q00975 1/20 0.34
CYP19A1 P11511 1/20 0.34
FADS1 O60427 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CNR1 P21554 2/20 0.34
IDH1 O75874 1/20 0.34
MAT2A P31153 1/20 0.34
GSR P00390 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4929879 0.90 PDE2A (0.38) PDE2AMEN1KMT2ALIPEFADS1
SCHEMBL4927330 0.86 DCTPP1 (0.36) MEN1KMT2ALIPECACNA1BFADS1
SCHEMBL4922183 0.83 CACNA2D1 (0.47) MEN1KMT2AMAPT
SCHEMBL4931175 0.83 DHODH (0.44) MAPTRAB9A
SCHEMBL4927655 0.81 P2RX3 (0.43) KMT2AMAT2AMAPTRAB9A
SCHEMBL4921631 0.81 DRD2 (0.46) FADS1MAPT
SCHEMBL4927269 0.81 CACNA2D1 (0.48) PDE2AMAP3K14MAPT
SCHEMBL4921791 0.81 PDE2A (0.49) PDE2ACYP19A1MAPTRAB9A
Hydrochloric Acid SCHEMBL4921709 0.81 DRD2 (0.45) FADS1MAPT
SCHEMBL4928564 0.80 TRPV1 (0.38) PDE2AMEN1KMT2AMAP3K14MAT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
US-20080021069-A1 Receptor Function Regulating Agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 US disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 EP disclosed
EP-1810677-A1 RECEPTOR FUNCTION REGULATING AGENT Takeda Pharmaceutical Company Limited (JP) 2007-07-25 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 (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-20080021069-A1 Receptor Function Regulating Agent GPR119, INSR, GPR65 PDE2A 995/4885MEN1 4097/4885KMT2A 1963/4885

“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.