SCHEMBL3684696

SCHEMBL3684696

N=C(N)SCc1cc(F)cc2c1-c1c(CSC(=N)N)cc(F)cc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.46
PRMT1 Q99873 1/20 0.46
ATP1A1 P05023 1/20 0.45
ATP1B1 P05026 1/20 0.45
ATP1A3 P13637 1/20 0.45
ATP1B2 P14415 1/20 0.45
ATP1A2 P50993 1/20 0.45
ATP1B3 P54709 1/20 0.45
FXYD2 P54710 1/20 0.45
ATP1A4 Q13733 1/20 0.45
NOS1 P29475 2/20 0.44
HTT P42858 5/20 0.44
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TAAR1 Q96RJ0 2/20 0.42
SLC11A2 P49281 2/20 0.42
ALDH1A1 P00352 4/20 0.40
ALDH3A1 P30838 4/20 0.40

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
Bromide SCHEMBL4018394 0.98 IDO1 (0.49) IDO1MAPTCYP1A2PRMT1ATP1A1
SCHEMBL22275619 0.76 IDO1 (0.61) IDO1MAPTCYP1A2PRMT1ATP1A1
Bromide SCHEMBL22263140 0.75 IDO1 (0.59) IDO1MAPTCYP1A2PRMT1ATP1A1
SCHEMBL20932350 0.75 MAPT (0.64) IDO1MAPTCYP1A2PRMT1ATP1A1
Bromide SCHEMBL20920809 0.73 MAPT (0.62) IDO1MAPTCYP1A2PRMT1ATP1A1
SCHEMBL3684003 0.72 IDO1 (0.56) IDO1MAPTATP1A1ATP1B1ATP1A3
SCHEMBL4166529 0.71 CYP1A2 (0.50) IDO1MAPTCYP1A2PRMT1ATP1A1
SCHEMBL3769133 0.71 IDO1 (0.59) IDO1MAPTCYP1A2PRMT1ATP1A1
Bromide SCHEMBL4442763 0.71 IDO1 (0.54) IDO1MAPTATP1A1ATP1B1ATP1A3
SCHEMBL3688866 0.71 IDO1 (0.54) IDO1MAPTATP1A1ATP1B1ATP1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO claimed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH IDO1 720/4885MAPT 695/4885CYP1A2 313/4885

“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.