SCHEMBL4166529

SCHEMBL4166529

N=C(N)SCc1cc(F)cc2c1sc1c(CSC(=N)N)cc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
PRMT1 Q99873 1/20 0.50
IDO1 P14902 12/20 0.44
HTT P42858 5/20 0.44
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.37
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
HPGD P15428 1/20 0.35
SLC11A2 P49281 1/20 0.35
NOS1 P29475 1/20 0.34

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 SCHEMBL4161301 0.99 CYP1A2 (0.49) CYP1A2PRMT1IDO1HTTLMNA
SCHEMBL3685690 0.83 HTT (0.50) CYP1A2IDO1HTTLMNASMN1; SMN2
Bromide SCHEMBL4018393 0.82 HTT (0.49) CYP1A2IDO1HTTLMNASMN1; SMN2
SCHEMBL4164022 0.76 PDK2 (0.31)
SCHEMBL4168887 0.73
SCHEMBL3684696 0.71 IDO1 (0.50) CYP1A2PRMT1IDO1HTTLMNA
Bromide SCHEMBL4018394 0.70 IDO1 (0.49) CYP1A2PRMT1IDO1HTTLMNA
SCHEMBL20932350 0.69 MAPT (0.64) CYP1A2PRMT1IDO1HTTLMNA
SCHEMBL4917614 0.69 IDO1 (0.56) CYP1A2PRMT1IDO1HTTLMNA
Bromide SCHEMBL4915787 0.68 IDO1 (0.57) CYP1A2PRMT1IDO1HTTLMNA

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 5 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
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 CYP1A2 313/4885PRMT1 127/4885IDO1 720/4885

“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.