SCHEMBL3689349

SCHEMBL3689349

N=C(N)SCc1cc(F)ccc1Oc1cc(F)ccc1CSC(=N)N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 6/20 0.49
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
LMNA P02545 5/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 6/20 0.43
NPC1 O15118 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
NOS1 P29475 1/20 0.40
TAAR1 Q96RJ0 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SLC11A2 P49281 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 SCHEMBL4445135 0.99 IDO1 (0.47) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3688866 0.94 IDO1 (0.54) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL4439226 0.93 IDO1 (0.53) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3682473 0.91 IDO1 (0.49) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3688900 0.91 IDO1 (0.55) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL4445139 0.90 IDO1 (0.48) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL4915451 0.90 IDO1 (0.56) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL3685043 0.86 IDO1 (0.55) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
Bromide SCHEMBL4564274 0.85 IDO1 (0.56) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL14077486 0.83 ALDH1A1 (0.45) IDO1KMT2AMEN1ALDH1A1SMN1; SMN2

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 269/4885KMT2A 1723/4885MEN1 618/4885

“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.