SCHEMBL4020697

SCHEMBL4020697

CC(C)(C)c1cc(CSC(=N)N)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(CSC(=N)N)c1O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
CYP1A2 P05177 1/20 0.37
PRMT1 Q99873 1/20 0.37
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
IDO1 P14902 6/20 0.35
HTT P42858 6/20 0.35
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 2/20 0.34
SLC11A2 P49281 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 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 SCHEMBL4158264 0.99 MAPT (0.41) MAPTCYP1A2PRMT1ATP1A1ATP1B1
SCHEMBL4157542 0.77 GABBR2 (0.36) CYP1A2
SCHEMBL22275721 0.71 MAPT (0.56) MAPTCYP1A2ATP1A1ATP1B1ATP1A3
Bromide SCHEMBL22263092 0.70 MAPT (0.54) MAPTATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL21327677 0.69 POLB (0.36) MAPTKMT2AKDM4EMEN1
SCHEMBL547487 0.69 ALDH1A1 (0.39) MAPTCYP1A2LMNASMN1; SMN2KMT2A
SCHEMBL31462832 0.69 POLB (0.36) MAPTKMT2AKDM4EMEN1
SCHEMBL811190 0.68 POLB (0.39) HTR1DHTR1B
SCHEMBL20932734 0.67 MAPT (0.50) MAPTATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL30367805 0.66 GABBR2 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2061755-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP claimed
US-20090069408-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-03-12 US claimed
WO-2008109840-A1 TRICYCLIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-12 WO 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 MAPT 695/4885CYP1A2 313/4885PRMT1 127/4885

“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.