SCHEMBL3752992

SCHEMBL3752992

N=C(N)SCc1cc(Cl)ccc1Sc1ccc(Cl)cc1CSC(=N)N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 13/20 0.66
HTT P42858 4/20 0.66
CYP1A2 P05177 3/20 0.55
PRMT1 Q99873 1/20 0.55
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TAAR1 Q96RJ0 2/20 0.51
MAPT P10636 1/20 0.47
NOS1 P29475 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SLC11A2 P49281 1/20 0.43
ATP1A1 P05023 1/20 0.42
ATP1B1 P05026 1/20 0.42
ATP1A3 P13637 1/20 0.42
ATP1B2 P14415 1/20 0.42

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 SCHEMBL4437970 0.98 IDO1 (0.67) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3685292 0.93 IDO1 (0.57) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4434923 0.91 IDO1 (0.58) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL4917614 0.91 IDO1 (0.56) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4915787 0.90 IDO1 (0.57) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3680873 0.88 IDO1 (0.52) IDO1HTTCYP1A2PRMT1LMNA
Bromide SCHEMBL4440423 0.87 IDO1 (0.53) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3686736 0.85 IDO1 (0.56) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL3685521 0.84 IDO1 (0.49) IDO1HTTCYP1A2PRMT1LMNA
SCHEMBL22275663 0.84 IDO1 (0.77) IDO1HTTCYP1A2PRMT1LMNA

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 6 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
WO-2010005851-A1 COMBINATION THERAPY FOR TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2010-01-14 WO 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 269/4885HTT 1363/4885CYP1A2 71/4885

“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.