SCHEMBL4854656

SCHEMBL4854656

CCc1ccc(NC(=N)c2ccc(SC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
KLKB1 P03952 1/20 0.44
PRSS1 P07477 1/20 0.44
MAPT P10636 6/20 0.43
RAB9A P51151 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
LMNA P02545 3/20 0.43
IDO1 P14902 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ATM Q13315 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SRC P12931 1/20 0.41
CYP1A2 P05177 2/20 0.40

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
SCHEMBL4860038 0.85 TRPV1 (0.48) RAB9ASMN1; SMN2NPC1LMNAKDM4E
SCHEMBL14193769 0.82 NPC1 (0.47) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4853065 0.82 NPC1 (0.47) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4852963 0.81 IDO1 (0.44) MAPTLMNAIDO1KMT2AMEN1
SCHEMBL4856115 0.81 MEN1 (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4864119 0.81 MEN1 (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4854757 0.81 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4857030 0.81 ALDH1A1 (0.46) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL4863122 0.81 MAPT (0.52) PRSS1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL4857004 0.80 MAPT (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-7365069-B2 Pyrimidone derivatives BEXEL PHARMACEUTICALS INC. (US) 2008-04-29 US disclosed
US-20040259891-A1 Novel pyrimidon derivatives ORCHID CHEMICAL & PHARMACEUTICALS LIMITED (IN) 2004-12-23 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-20040259891-A1 Novel pyrimidon derivatives TYMS, TPMT, TYMP TNF 4502/4885F2 1369/4885PLG 4180/4885

“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.