SCHEMBL4920982

SCHEMBL4920982

N=C(S)NCc1cccc(CNC(=N)S)c1-c1c(CNC(=N)S)cccc1CNC(=N)S

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MTNR1A P48039 2/20 0.33
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
HPGD P15428 2/20 0.31
ALDH1A1 P00352 2/20 0.31
NQO2 P16083 1/20 0.30

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 SCHEMBL4918498 0.98 MEN1 (0.37) MAPTMEN1KMT2ANPC1RAB9A
Bromide SCHEMBL4167296 0.88 MEN1 (0.34) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2813865 0.86 NPC1 (0.41) MAPTMEN1KMT2ANPC1RAB9A
Bromide SCHEMBL4920808 0.85 HPGD (0.39) MAPTMEN1KMT2ANPC1RAB9A
Bromide SCHEMBL2810282 0.84 NPC1 (0.39) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4158307 0.84 MAPT (0.39) MAPTMEN1KMT2ARAB9ATSHR
SCHEMBL2813548 0.83 HPGD (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL2816371 0.82 MEN1 (0.41) MAPTMEN1KMT2AMTNR1AGAA
Bromide SCHEMBL2813445 0.82 HPGD (0.36) MAPTMEN1KMT2ANPC1RAB9A
Bromide SCHEMBL2813414 0.80 MEN1 (0.41) MAPTMEN1KMT2AMTNR1AGAA

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 2 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
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 MAPT 661/4885MEN1 618/4885KMT2A 1723/4885

“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.