SCHEMBL5485350

SCHEMBL5485350

O=C(CSc1nc2cccnc2c(=O)n1-c1ccccc1)c1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TGM2 P21980 1/20 0.47
PDE7A Q13946 1/20 0.46
POLB P06746 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
PTBP1 P26599 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PIK3C2A O00443 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL5437104 0.94 CYP1A2 (0.53) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL5436162 0.84 MAPT (0.60) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5485353 0.83 LMNA (0.56) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL5440327 0.81 MAPT (0.55) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5426131 0.81 CYP1A2 (0.54) ALDH1A1MEN1KMT2AL3MBTL1TSHR
SCHEMBL5432535 0.77 MAPT (0.51) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5445385 0.75 MAPT (0.49) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5437295 0.75 MAPT (0.49) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5430074 0.75 MAPT (0.49) ALDH1A1MEN1KMT2ATSHRCYP1A2
SCHEMBL5435571 0.74 PTGS2 (0.52) KMT2ATSHRCYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 US claimed
US-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) BAYLISS TRACY 2007-06-14 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-20070135454-A1 Bicyclic pyrimidin-4(3h)-ones and analogues and derivatives thereof which modulate the function of the vanilloid-1-receptor(vr1) TRPV1, TRPV2, TRPV4 ALDH1A1 825/4885MEN1 4674/4885KMT2A 4422/4885

“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.