SCHEMBL3693564

SCHEMBL3693564

CN=C(N)SCc1ccccc1Sc1ccccc1CSC(=N)NC

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IDO1 P14902 5/20 0.36
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
HTT P42858 3/20 0.36
IFNAR1 P17181 1/20 0.36
HPGD P15428 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
RECQL P46063 1/20 0.33
SLC6A3 Q01959 1/20 0.32
SLC11A2 P49281 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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 SCHEMBL4446848 0.99 TAAR1 (0.37) TAAR1GAATDP1IDO1LMNA
SCHEMBL14068673 0.87 IFNAR1 (0.44) TAAR1IDO1LMNASMN1; SMN2HTT
SCHEMBL3693561 0.81 NOS1 (0.44) TAAR1IDO1LMNASMN1; SMN2HTT
Bromide SCHEMBL4446847 0.80 NOS1 (0.43) TAAR1IDO1LMNASMN1; SMN2HTT
SCHEMBL22275634 0.76 IDO1 (0.43) TAAR1GAATDP1IDO1LMNA
SCHEMBL3684582 0.75 IDO1 (0.41) TAAR1IDO1LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL22263158 0.75 IDO1 (0.44) TAAR1GAATDP1IDO1LMNA
Bromide SCHEMBL4440779 0.74 IDO1 (0.40) TAAR1IDO1LMNASMN1; SMN2HTT
SCHEMBL3684271 0.73 IDO1 (0.62) TAAR1IDO1LMNASMN1; SMN2HTT
Bromide SCHEMBL4442782 0.72 IDO1 (0.61) TAAR1IDO1LMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TAAR1 773/4885GAA 467/4885TDP1 3382/4885

“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.