SCHEMBL4392834

SCHEMBL4392834

COC(=O)Nc1ccc(-c2n[nH]cc2CN2CCN(c3ccc(C(F)(F)F)cn3)[C@H](C)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.40
EPAS1 Q99814 4/20 0.40
SMO Q99835 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CXCR3 P49682 3/20 0.37
SGPL1 O95470 1/20 0.37
PANK3 Q9H999 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37

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
SCHEMBL13590959 0.90 PIK3CD (0.40) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4256260 0.90 PIK3CD (0.40) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4246579 0.90 LMNA (0.40) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL13590967 0.90 LMNA (0.40) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL4249318 0.88 SMO (0.41) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4249326 0.88 SMO (0.41) HIF1AEPAS1SMOMAPTALDH1A1
SCHEMBL4250176 0.87 SGPL1 (0.38) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL4250172 0.87 SGPL1 (0.38) HIF1AEPAS1SMOMAPTKDM4E
SCHEMBL4250515 0.87 SMO (0.46) SMOCXCR3SGPL1PTGDR2
SCHEMBL4250521 0.87 SMO (0.46) SMOCXCR3SGPL1PTGDR2

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 1 patent. 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 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 HIF1A 4073/4885EPAS1 1438/4885SMO 1890/4885

“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.