SCHEMBL3687331

SCHEMBL3687331

N=C(N)SCc1cc(Cl)ccc1Oc1ccccc1COC(=S)NN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 8/20 0.43
HTT P42858 5/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TAAR1 Q96RJ0 2/20 0.42
CYP1A2 P05177 1/20 0.38
PRMT1 Q99873 1/20 0.38
SLC6A2 P23975 5/20 0.37
SLC6A4 P31645 5/20 0.37
SLC6A3 Q01959 4/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 2/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34

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 SCHEMBL4436449 0.99 IDO1 (0.44) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3687360 0.93 IDO1 (0.45) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4437159 0.92 IDO1 (0.46) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3682476 0.88 IDO1 (0.38) IDO1HTTLMNASMN1; SMN2TAAR1
Bromide SCHEMBL4445146 0.88 KMT2A (0.37) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3688268 0.84 IDO1 (0.46) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3687329 0.84 IDO1 (0.56) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3688905 0.84 IDO1 (0.43) IDO1HTTLMNASMN1; SMN2TAAR1
SCHEMBL3680103 0.84 HPGD (0.41) IDO1HTTLMNASMN1; SMN2CYP1A2
Bromide SCHEMBL4441056 0.83 IDO1 (0.45) 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 8 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
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.