SCHEMBL5434299

SCHEMBL5434299

Cn1cnc2c(=O)n(-c3ccc(Cl)cc3)c(SCC(=O)c3ccc(Cl)cc3)nc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 6/20 0.52
TP53 P04637 5/20 0.52
LMNA P02545 5/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
CDC25A P30304 2/20 0.42
CDC25B P30305 2/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL5438917 0.89 MEN1 (0.47) SMN1; SMN2MAPTTP53LMNAMEN1
SCHEMBL5431839 0.87 CNKSR1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5429576 0.84 MAPT (0.49) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5428478 0.82 MAPT (0.47) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5437956 0.81 ATM (0.42) ALDH1A1SMN1; SMN2POLBLMNAMEN1
SCHEMBL5438632 0.81 MAOB (0.55) ALDH1A1MAPTTSHR
SCHEMBL5434511 0.80 MAPT (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL5431372 0.80 MAOA (0.43) ALDH1A1MAPTTP53KMT2ATSHR
SCHEMBL5429219 0.79 ALDH1A2 (0.40) MAPTTP53KMT2ATSHR
SCHEMBL5436112 0.78 KMT2A (0.50) MAPTTP53MEN1KMT2ACYP1A2

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 825/4885NPC1 1077/4885RAB9A 2806/4885

“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.