SCHEMBL5440485

SCHEMBL5440485

O=c1c2ncn(CC3CC3)c2nc(SCc2csc3ccc(Cl)cc23)n1-c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A2 O94788 3/20 0.39
ALDH1A3 P47895 3/20 0.39
ALDH1A1 P00352 2/20 0.39
EPHX1 P07099 1/20 0.37
PTGS2 P35354 4/20 0.36
KDM1A O60341 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL5429211 0.88 ALDH1A2 (0.41) ALDH1A2ALDH1A3PTGS2KDM1A
SCHEMBL5441947 0.87 ALDH1A2 (0.41) ALDH1A2ALDH1A3ALDH1A1KDM1A
SCHEMBL5429596 0.87 ALDH1A2 (0.38) ALDH1A2ALDH1A3EPHX1PTGS2KDM1A
SCHEMBL5426588 0.85 ALDH1A2 (0.43) ALDH1A2ALDH1A3ALDH1A1KDM1A
SCHEMBL5438338 0.85 KDM1A (0.39) ALDH1A2ALDH1A3KDM1AKMT2A
SCHEMBL5437168 0.84 PTGS2 (0.39) ALDH1A2ALDH1A3ALDH1A1PTGS2KDM1A
SCHEMBL5435811 0.83 ALDH1A2 (0.40) ALDH1A2ALDH1A3KDM1A
SCHEMBL5432508 0.83 KDM1A (0.36) ALDH1A2ALDH1A3ALDH1A1KDM1A
SCHEMBL5434800 0.78 ALDH1A2 (0.40) ALDH1A2ALDH1A3ALDH1A1KDM1A
SCHEMBL5440520 0.78 ALDH1A2 (0.42) ALDH1A2ALDH1A3ALDH1A1PTGS2KMT2A

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 ALDH1A2 1259/4885ALDH1A3 1534/4885ALDH1A1 825/4885

“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.