SCHEMBL4627430

SCHEMBL4627430

CCCCOc1ccc(C(=O)N=C(N)SC)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
RAB9A P51151 2/20 0.54
TP53 P04637 2/20 0.50
LMNA P02545 2/20 0.50
PRSS1 P07477 1/20 0.50
ACR P10323 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PLA2G4B P0C869 2/20 0.49
SLC2A1 P11166 2/20 0.47
RARB P10826 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STAT3 P40763 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL1086686 0.76 PARP10 (0.72) GAARAB9ATP53LMNATSHR
SCHEMBL3986779 0.73 TP53 (0.70) GAARAB9ATP53LMNATSHR
SCHEMBL7985774 0.73 TSHR (0.55) GAARAB9ATP53TSHRPLA2G4B
SCHEMBL21138607 0.73 TP53 (0.69) GAARAB9ATP53LMNATSHR
SCHEMBL8769969 0.72 TP53 (0.68) GAATP53TSHRPLA2G4BRARB
SCHEMBL8108920 0.72 TP53 (0.73) GAARAB9ATP53LMNATSHR
SCHEMBL7455430 0.72 TP53 (0.73) GAARAB9ATP53LMNATSHR
SCHEMBL12954709 0.72 TP53 (0.73) GAARAB9ATP53LMNATSHR
SCHEMBL19723267 0.72 TP53 (0.73) GAARAB9ATP53LMNATSHR
SCHEMBL9306861 0.72 TP53 (0.73) GAARAB9ATP53LMNATSHR

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-1918272-A1 Pharmaceutically active compounds and methods of use Wyeth a Corporation of the State of Delaware (US) 2008-05-07 EP disclosed
EP-1032556-B1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE WYETH CORP (US) 2007-12-19 EP disclosed
US-20060270741-A1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-7041702-B1 Pharmaceutically active compounds and methods of use SCION PHARMACEUTICALS, INC. (US) 2006-05-09 US disclosed
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 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-20060270741-A1 Pharmaceutically active compounds and methods of use GBA1, CTSA, GAA GAA 3/4885RAB9A 617/4885TP53 4226/4885

“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.