SCHEMBL3686320

SCHEMBL3686320

N=C(N)SCc1cc(F)ccc1Sc1sccc1CSC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.44
MAPT P10636 1/20 0.38
HTT P42858 5/20 0.37
NOS1 P29475 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
ALDH1A1 P00352 3/20 0.35
ALDH3A1 P30838 2/20 0.35
SLC11A2 P49281 2/20 0.35
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.33

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
Hydrochloric Acid SCHEMBL4446712 0.99 IDO1 (0.46) IDO1MAPTHTTNOS1LMNA
SCHEMBL3684003 0.85 IDO1 (0.56) IDO1MAPTHTTNOS1LMNA
SCHEMBL3686322 0.84 IDO1 (0.34) IDO1
Hydrochloric Acid SCHEMBL4446717 0.84 IDO1 (0.35) IDO1ALDH1A1MEN1KMT2A
Bromide SCHEMBL4442763 0.83 IDO1 (0.54) IDO1MAPTHTTNOS1LMNA
SCHEMBL3685699 0.80 IDO1 (0.50) IDO1MAPTHTTNOS1LMNA
SCHEMBL3687314 0.79 IDO1 (0.46) IDO1MAPTHTTNOS1LMNA
SCHEMBL3683307 0.79 IDO1 (0.49) IDO1MAPTHTTNOS1LMNA
Bromide SCHEMBL4442320 0.79 IDO1 (0.49) IDO1MAPTHTTNOS1LMNA
SCHEMBL4919568 0.79 IDO1 (0.49) IDO1MAPTHTTNOS1LMNA

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 11 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
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP claimed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO claimed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO disclosed
EP-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 US disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 IDO1 269/4885MAPT 661/4885HTT 1363/4885

“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.