SCHEMBL4155854

SCHEMBL4155854

N=C(N)SCc1cccc2c1oc1c(CSC(=N)N)cccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC11A2 P49281 2/20 1.00
HTT P42858 5/20 0.63
HPGD P15428 2/20 0.63
CYP3A4 P08684 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 1/20 0.61
STAT6 P42226 1/20 0.61
IDO1 P14902 9/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
TAAR1 Q96RJ0 3/20 0.53
NOS1 P29475 2/20 0.47
NOS3 P29474 1/20 0.47
NOS2 P35228 1/20 0.47
TP53 P04637 2/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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 SCHEMBL4161416 0.98 SLC11A2 (0.97) SLC11A2HTTHPGDCYP3A4CYP1A2
SCHEMBL3691280 0.91 SLC11A2 (0.82) SLC11A2HTTHPGDCYP3A4CYP1A2
Bromide SCHEMBL4154083 0.89 SLC11A2 (0.80) SLC11A2HTTHPGDCYP3A4CYP1A2
SCHEMBL4160541 0.87 SLC11A2 (0.76) SLC11A2HTTHPGDCYP3A4CYP1A2
Bromide SCHEMBL4162322 0.86 SLC11A2 (0.74) SLC11A2HTTHPGDCYP3A4CYP1A2
SCHEMBL13779244 0.79 HTT (0.96) SLC11A2HTTHPGDCYP3A4CYP1A2
SCHEMBL3690551 0.77 HTT (0.65) SLC11A2HTTHPGDCYP1A2IDO1
SCHEMBL2812696 0.77 IDO1 (0.74) SLC11A2HTTHPGDCYP3A4CYP1A2
SCHEMBL4019275 0.76 HTT (0.63) SLC11A2HTTHPGDCYP3A4CYP1A2
Bromide SCHEMBL4445136 0.76 HTT (0.62) SLC11A2HTTHPGDCYP1A2IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US claimed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US disclosed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO 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-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS TFRC, SLC40A1, FECH SLC11A2 77/4885HTT 583/4885HPGD 1088/4885

“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.