SCHEMBL4334647

SCHEMBL4334647

O=[N+]([O-])c1cc(S(=O)(=O)NCc2cccnc2)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.74
CYP2C19 P33261 1/20 0.61
IDO1 P14902 1/20 0.60
PKM P14618 3/20 0.57
LMNA P02545 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL4315537 0.86 IDO1 (0.60) VCAM1CYP2C19IDO1PKMLMNA
SCHEMBL5034929 0.81 CYP19A1 (0.74) CYP2C19IDO1PKMLMNASMN1; SMN2
SCHEMBL13239651 0.78 VCAM1 (0.77) VCAM1CYP2C19LMNAMAPTSMN1; SMN2
SCHEMBL7207368 0.77 POLB (0.55) CYP2C19IDO1PKMMAPTSMN1; SMN2
SCHEMBL17085966 0.76 VCAM1 (0.77) VCAM1PKMMAPTSMN1; SMN2MEN1
SCHEMBL4319739 0.75 IDO1 (0.68) CYP2C19IDO1PKMLMNAMAPT
SCHEMBL22456624 0.75 MAPT (0.76) PKMLMNAMAPTSMN1; SMN2MEN1
SCHEMBL6261490 0.74 VCAM1 (1.00) VCAM1
SCHEMBL28496538 0.74 VCAM1 (0.74) VCAM1LMNAHTT
SCHEMBL1876581 0.74 IDO1 (0.70) CYP2C19IDO1LMNAMAPTSMN1; SMN2

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-7569688-B2 Propane-1, 3-dione derivative ASTELLAS PHARMA INC. (JP) 2009-08-04 US disclosed
EP-1300398-B1 PROPANE-1,3-DIONE DERIVATIVES ASTELLAS PHARMA INC (JP) 2006-04-05 EP disclosed
US-20050267110-A1 Propane-1, 3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. 2005-12-01 US disclosed
US-6960591-B2 Propane-1,3-dione derivative YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20030191164-A1 Propane-1,3-dione derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
EP-1300398-A1 PROPANE-1,3-DIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2003-04-09 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-20030191164-A1 Propane-1,3-dione derivatives GNRHR, GPER1, FSHR VCAM1 3121/4885CYP2C19 858/4885IDO1 1607/4885
US-20050267110-A1 Propane-1, 3-dione derivative GNRHR, GPER1, FSHR VCAM1 3061/4885CYP2C19 815/4885IDO1 1631/4885

“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.