SCHEMBL3689189

SCHEMBL3689189

N=C(N)SCc1cccc2c1-c1c(CSC(=N)N)cccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.53
▸ HPGD P15428 1/20 0.53
▸ IDO1 P14902 5/20 0.51
▸ LMNA P02545 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ TAAR1 Q96RJ0 2/20 0.51
▸ SLC11A2 P49281 2/20 0.51
▸ NOS1 P29475 2/20 0.46
▸ NOS3 P29474 1/20 0.46
▸ NOS2 P35228 1/20 0.46
▸ ALDH1A1 P00352 8/20 0.45
▸ ALDH3A1 P30838 8/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ MAPT P10636 1/20 0.43

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 SCHEMBL4017471 0.98 HTT (0.51) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL3694709 0.90 HTT (0.53) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL3684767 0.90 HTT (0.59) HTTHPGDIDO1LMNASMN1; SMN2
Bromide SCHEMBL4015521 0.89 HTT (0.51) HTTHPGDIDO1LMNASMN1; SMN2
Bromide SCHEMBL4018130 0.88 HTT (0.57) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL3690551 0.84 HTT (0.65) HTTHPGDIDO1LMNASMN1; SMN2
Bromide SCHEMBL4445136 0.82 HTT (0.62) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL14068506 0.82 HTT (0.51) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL3679465 0.78 IDO1 (0.67) HTTHPGDIDO1LMNASMN1; SMN2
SCHEMBL14068776 0.77 MAPT (0.61) HTTHPGDIDO1LMNASMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 — — EP claimed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 — — US claimed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 — — WO claimed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 — — WO 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

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 HTT 583/4885HPGD 1088/4885IDO1 720/4885

“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.

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