SCHEMBL4244291

SCHEMBL4244291

CNC(=O)Oc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)C(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 3/20 0.40
SGPL1 O95470 1/20 0.38
CXCR3 P49682 6/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.36
HSD11B1 P28845 1/20 0.36
LIPE Q05469 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL4391439 1.00 SMO (0.40) SMOSGPL1CXCR3PTGDR2HSD11B1
SCHEMBL13590956 0.92 SMO (0.39) SMOSGPL1CXCR3PTGDR2HSD11B1
SCHEMBL4241889 0.92 SMO (0.39) SMOSGPL1CXCR3PTGDR2HSD11B1
SCHEMBL4248845 0.92 SMO (0.39) SMOSGPL1CXCR3PTGDR2LIPE
SCHEMBL13590966 0.92 SMO (0.39) SMOSGPL1CXCR3PTGDR2LIPE
SCHEMBL4246579 0.90 LMNA (0.40) SMOSGPL1PTGDR2CHRM2CHRM1
SCHEMBL13590967 0.90 LMNA (0.40) SMOSGPL1PTGDR2CHRM2CHRM1
SCHEMBL4074520 0.87 SMN1; SMN2 (0.46) HSD11B1
SCHEMBL4392834 0.87 HIF1A (0.40) SMOSGPL1CXCR3PTGDR2
SCHEMBL4250515 0.86 SMO (0.46) SMOSGPL1CXCR3PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US claimed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP claimed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO claimed
US-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2009-12-10 US disclosed
EP-2057124-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM, LLC (BM) 2009-05-13 EP disclosed
WO-2008011611-A2 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2008-01-24 WO 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-20090306039-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 SMO 1890/4885SGPL1 656/4885CXCR3 1268/4885

“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.