SCHEMBL5434848

SCHEMBL5434848

CCn1c(-c2ccc(N(C)C)cc2)nc2c(=O)[nH]cnc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.43
ADORA3 P0DMS8 2/20 0.43
ADORA1 P30542 2/20 0.43

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
SCHEMBL5428700 0.85 ADORA2A (0.45) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL5438910 0.76 NPC1 (0.52) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL5429656 0.68 MEN1 (0.51) ALDH1A1KDM4EMEN1NPC1CYP1A2
SCHEMBL8360805 0.67 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL13946600 0.66 MAPT (0.55) ALDH1A1MAPTKDM4ENPC1CYP3A4
SCHEMBL5769313 0.66 ALDH1A1 (0.47) ALDH1A1MAPTKDM4EMEN1HPGD
SCHEMBL20971256 0.65 IP6K1 (0.50) ALDH1A1MAPTKDM4ENPC1HPGD
SCHEMBL5429558 0.65 MEN1 (0.40) ALDH1A1MEN1NPC1CYP3A4RAB9A
SCHEMBL11083637 0.65 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EMEN1NPC1
SCHEMBL18969862 0.64 KDM4E (1.00) ALDH1A1MAPTKDM4EMEN1NPC1

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 825/4885MAPT 4636/4885KDM4E 4401/4885

“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.