SCHEMBL3683307

SCHEMBL3683307

N=C(N)SCc1ccccc1Sc1ccc(F)cc1CSC(=N)N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 9/20 0.49
▸ HTT P42858 5/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TAAR1 Q96RJ0 2/20 0.49
▸ HPGD P15428 1/20 0.47
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ NOS1 P29475 2/20 0.44
▸ NOS3 P29474 1/20 0.44
▸ NOS2 P35228 1/20 0.44
▸ SLC11A2 P49281 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ BACE1 P56817 1/20 0.38
▸ ATP1A1 P05023 1/20 0.38
▸ ATP1B1 P05026 1/20 0.38
▸ ATP1A3 P13637 1/20 0.38
▸ ATP1B2 P14415 1/20 0.38
▸ ATP1A2 P50993 1/20 0.38
▸ ATP1B3 P54709 1/20 0.38

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 SCHEMBL4438707 0.99 IDO1 (0.48) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL14089593 0.94 IDO1 (0.43) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3684003 0.93 IDO1 (0.56) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3685313 0.91 IDO1 (0.49) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4442763 0.91 IDO1 (0.54) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4448790 0.90 IDO1 (0.48) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3685699 0.90 IDO1 (0.50) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4442320 0.89 IDO1 (0.49) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3684271 0.86 IDO1 (0.62) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3683396 0.86 IDO1 (0.49) IDO1HTTLMNASMN1; SMN2TAAR1

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
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
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 269/4885HTT 1363/4885LMNA 1202/4885

“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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