SCHEMBL10152098

SCHEMBL10152098

O=C(NC[C@H]1CN(c2cc(F)c(N3CCNN(S(=O)(=O)c4cccnc4)CC3)c(F)c2)C(=O)O1)C(F)F

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.39
MAOA P21397 6/20 0.38
MAOB P27338 6/20 0.38
CALML3 P27482 2/20 0.38
LMNA P02545 1/20 0.38
PTGS1 P23219 1/20 0.38
SDHA P31040 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 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
SCHEMBL10152096 0.92 F10 (0.41) F10MAOAMAOBCALML3LMNA
SCHEMBL10151834 0.92 F10 (0.49) F10MAOAMAOBCALML3LMNA
SCHEMBL10152097 0.91 MAOA (0.47) F10MAOAMAOBCALML3LMNA
SCHEMBL10152663 0.87 MAOB (0.43) F10MAOAMAOBCALML3LMNA
SCHEMBL13981014 0.86 CYP3A4 (0.39) F10MAOAMAOBCALML3CYP3A4
SCHEMBL10152100 0.86 F10 (0.39) F10MAOAMAOBCALML3LMNA
SCHEMBL10151990 0.86 MAOA (0.43) F10MAOAMAOBCALML3LMNA
SCHEMBL10152106 0.85 MAOB (0.40) F10MAOAMAOBCALML3LMNA
SCHEMBL10151995 0.84 MAOA (0.43) F10MAOAMAOBCALML3LMNA
SCHEMBL10151832 0.84 MAOB (0.51) F10MAOAMAOBCALML3LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING SUZUKI HIDEYUKI (JP) 2012-08-16 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
US-8148362-B2 Compound having heterocyclic ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2012-04-03 US disclosed
EP-2181994-A1 Antimicrobial compounds Research Foundation Itsuu Laboratory (JP) 2010-05-05 EP disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
US-20090299059-A1 Novel Compound Having Heterocyclic Ring RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2009-12-03 US disclosed
EP-2009012-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING Research Foundation Itsuu Laboratory (JP) 2008-12-31 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-20090299059-A1 Novel Compound Having Heterocyclic Ring NR0B2, NR2C2, NR0B1 F10 3469/4885MAOA 2965/4885MAOB 2611/4885
US-20120208997-A1 NOVEL COMPOUND HAVING HETEROCYCLIC RING OXA1L, MRPL21, TOP1 F10 1264/4885MAOA 1563/4885MAOB 1404/4885

“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.