SCHEMBL2812696

SCHEMBL2812696

N=C(N)SCc1ccccc1CSC(=N)N

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 11/20 0.74
▸ HTT P42858 4/20 0.74
▸ LMNA P02545 3/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.74
▸ TAAR1 Q96RJ0 2/20 0.74
▸ HPGD P15428 1/20 0.69
▸ NOS1 P29475 3/20 0.68
▸ NOS3 P29474 1/20 0.68
▸ NOS2 P35228 1/20 0.68
▸ SLC11A2 P49281 2/20 0.61
▸ MAPT P10636 1/20 0.57
▸ TP53 P04637 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HIF1A Q16665 1/20 0.53

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 SCHEMBL2810146 0.98 IDO1 (0.71) IDO1HTTLMNASMN1; SMN2TAAR1
Hydrochloric Acid SCHEMBL22263112 0.98 IDO1 (0.75) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3679465 0.89 IDO1 (0.67) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL22275669 0.88 NOS1 (0.61) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL22263123 0.87 NOS1 (0.59) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3690551 0.86 HTT (0.65) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL12433171 0.86 IDO1 (0.62) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL13007579 0.86 IDO1 (1.00) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL2206997 0.86 IDO1 (0.62) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3684271 0.86 IDO1 (0.62) 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 12 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-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 — — EP claimed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 — — WO claimed
US-20200239452-A1 IDO/TDO Inhibitor CANBAS CO., LTD. (JP) 2020-07-30 — — US disclosed
WO-2019078246-A1 IDO/TDO INHIBITOR 一般社団法人ファルマバレープロジェクト支援機構 2019-04-25 — — WO disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 — — US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 — — US disclosed
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-09-23 — — US disclosed
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 — — WO disclosed
EP-2068855-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-06-17 — — EP disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 — — WO disclosed
WO-2008151288-A2 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-12-11 — — 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 (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-20200239452-A1 IDO/TDO Inhibitor IDO1, IDO2, TDO2 IDO1 1/4885HTT 71/4885LMNA 4867/4885
US-20100240713-A1 AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS SLC40A1, PAH, FECH IDO1 131/4885HTT 311/4885LMNA 3426/4885

“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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