SCHEMBL3688905

SCHEMBL3688905

N=C(N)SCc1ccc(Cl)cc1Oc1ccc(F)cc1COC(=S)NN

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.43
HTT P42858 3/20 0.43
SLC6A4 P31645 4/20 0.34
KCNH2 Q12809 3/20 0.34
HTR2A P28223 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
PRMT1 Q99873 1/20 0.33
SLC6A2 P23975 3/20 0.32
SLC6A3 Q01959 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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 SCHEMBL4915455 0.99 IDO1 (0.44) IDO1HTTSLC6A4KCNH2HTR2A
SCHEMBL3687360 0.89 IDO1 (0.45) IDO1HTTSLC6A4KCNH2CYP1A2
Bromide SCHEMBL4437159 0.88 IDO1 (0.46) IDO1HTTSLC6A4KCNH2CYP1A2
SCHEMBL3688900 0.85 IDO1 (0.55) IDO1HTTSLC6A4KCNH2HTR2A
SCHEMBL3682476 0.85 IDO1 (0.38) IDO1HTTSLC6A4HTR2AHPGD
SCHEMBL3687166 0.84 HPGD (0.42) IDO1HTTCYP1A2CYP2D6CYP2C9
Bromide SCHEMBL4915451 0.84 IDO1 (0.56) IDO1HTTSLC6A4KCNH2HTR2A
SCHEMBL3687331 0.84 IDO1 (0.43) IDO1HTTSLC6A4KCNH2CYP1A2
Bromide SCHEMBL4445146 0.84 KMT2A (0.37) IDO1HTTSLC6A4HTR2AHPGD
Bromide SCHEMBL4442761 0.84 HPGD (0.41) IDO1HTTCYP1A2CYP2D6CYP2C9

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 1363/4885SLC6A4 724/4885

“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.