SCHEMBL5425840

SCHEMBL5425840

O=c1c2ncccc2[nH]c(=S)n1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
LOXL3 P58215 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
IMPDH2 P12268 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
PKM P14618 3/20 0.43
MAPK10 P53779 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL6282946 0.82 ALDH1A1 (0.71) ALDH1A1LOXL3LOXL2IMPDH2PDE7A
SCHEMBL1992198 0.81 ALDH1A1 (0.50) ALDH1A1LOXL3LOXL2PDE7APDE7B
SCHEMBL2233781 0.81 LOXL3 (0.48) ALDH1A1LOXL3LOXL2PDE7APDE7B
SCHEMBL5431810 0.78 KIF11 (0.47) ALDH1A1LOXL3LOXL2PDE7APDE7B
SCHEMBL9955792 0.77 ALDH1A1 (0.73) ALDH1A1LOXL3LOXL2IMPDH2PDE7A
SCHEMBL11867641 0.73 PARP1 (0.47) ALDH1A1LOXL3LOXL2PDE7APDE7B
SCHEMBL4454871 0.69 GAA (0.56) ALDH1A1LOXL3LOXL2IMPDH2HTT
SCHEMBL4458262 0.68 ALDH1A1 (0.46) ALDH1A1LOXL3LOXL2IMPDH2CYP3A4
SCHEMBL31519931 0.68 GAA (0.59) ALDH1A1PDE7APDE7BPKMMAPK10
SCHEMBL6976082 0.68 GAA (0.59) ALDH1A1PDE7APDE7BPKMMAPK10

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 1 patent. 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 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 825/4885LOXL3 3121/4885LOXL2 2908/4885

“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.