SCHEMBL4560685

SCHEMBL4560685

Cc1nc2c(=O)[nH]cnc2n1C1CCCCC1=O

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ALB P02768 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SRC P12931 3/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ PDE7B Q9NP56 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ TNF P01375 1/20 0.31
▸ IL1B P01584 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ IKZF3 Q9UKT9 1/20 0.31

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
SCHEMBL4560684 0.78 ADORA3 (0.35) HCAR1ALDH1A1SRCPOLBADORA3
SCHEMBL14441125 0.69 ALDH1A1 (0.45) ALDH1A1MAPK1PDE7APDE7BADORA3
SCHEMBL14336976 0.68 ALDH1A1 (0.36) ALDH1A1LMNAALBMAPK1MEN1
SCHEMBL14337030 0.68 MEN1 (0.41) ALDH1A1LMNAALBMAPK1MEN1
SCHEMBL17680109 0.65 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14128691 0.64 ALDH1A1 (0.34) ALDH1A1LMNAALBMAPK1
SCHEMBL5438382 0.62 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1MEN1KMT2A
SCHEMBL8561736 0.62 HCAR1 (0.45) HCAR1ALDH1A1SRCKMT2A
SCHEMBL13587327 0.62 ALDH1A1 (0.34) ALDH1A1LMNAALBMAPK1POLB
Hydrochloric Acid SCHEMBL21272879 0.61 PI4KA (0.56) HCAR1ALDH1A1LMNAMAPK1SRC

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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) BROWN REBECCA ELIZABETH 2009-12-03 — — 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-20090298856-A1 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1) TRPV1, TRPV2, TRPV4 HCAR1 87/4885ALDH1A1 897/4885LMNA 4529/4885

“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.

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