SCHEMBL4158307

SCHEMBL4158307

N=C(S)NCc1cccc2c1-c1c(CNC(=N)S)cccc1C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
MAOA P21397 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAOB P27338 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 2/20 0.37
TYMS P04818 1/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35

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 SCHEMBL4167296 0.88 MEN1 (0.34) MAPTALDH1A1HPGDTYMSMEN1
SCHEMBL4920982 0.84 MAPT (0.38) MAPTALDH1A1HPGDTSHRMEN1
Bromide SCHEMBL4918498 0.82 MEN1 (0.37) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL2813865 0.76 NPC1 (0.41) MAPTALDH1A1SMN1; SMN2LMNAHPGD
Bromide SCHEMBL4920808 0.75 HPGD (0.39) MAPTALDH1A1MAPK1SMN1; SMN2LMNA
Bromide SCHEMBL2810282 0.74 NPC1 (0.39) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL2813548 0.73 HPGD (0.36) MAPTALDH1A1MAPK1LMNAHPGD
Bromide SCHEMBL2813445 0.72 HPGD (0.36) MAPTALDH1A1MAPK1LMNAHPGD
SCHEMBL2816371 0.72 MEN1 (0.41) MAPTALDH1A1HPGDTSHRHSD17B10
Bromide SCHEMBL2813414 0.70 MEN1 (0.41) MAPTMEN1KMT2ACHRNB2CHRNA4

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 1 patent. 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 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 MAPT 695/4885MAOA 555/4885ALDH1A1 1638/4885

“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.