SCHEMBL31089730

SCHEMBL31089730

COc1cc(Oc2cc(N3C(=O)NC4(CCCCC4)C3=O)ccn2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
AR P10275 3/20 0.40
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
DRD1 P21728 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE7A Q13946 2/20 0.35
AKR1B1 P15121 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
SCHEMBL21580724 1.00 POLB (0.46) POLBNPC1RAB9AARKMT2A
SCHEMBL31089890 0.99 POLB (0.44) POLBNPC1RAB9AARKMT2A
SCHEMBL21580710 0.99 POLB (0.44) POLBNPC1RAB9AARKMT2A
SCHEMBL21580661 0.97 POLB (0.42) POLBNPC1RAB9AARKMT2A
SCHEMBL21580721 0.92 POLB (0.45) POLBNPC1RAB9AARKMT2A
SCHEMBL31089899 0.92 POLB (0.45) POLBNPC1RAB9AARKMT2A
SCHEMBL21580774 0.91 POLB (0.37) POLBNPC1RAB9AARALDH1A1
SCHEMBL21580767 0.91 POLB (0.37) POLBNPC1RAB9AARKMT2A
SCHEMBL21580714 0.91 POLB (0.37) POLBNPC1RAB9AARALDH1A1
SCHEMBL31089811 0.91 POLB (0.37) POLBNPC1RAB9AARALDH1A1

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-12090146-B2 Substituted-pyridinyl compounds and uses thereof BIONOMICS LIMITED (AU) 2024-09-17 US disclosed
EP-3853216-B1 3-[2-(PHENOXY)-4-PYRIDYL]-IMIDAZOLIDINE-2,4-DIONE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DYSFUNCTION AND CNS DISORDERS BIONOMICS LTD (AU) 2024-09-11 EP 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-12090146-B2 Substituted-pyridinyl compounds and uses thereof GABRE, GAP43, GRIN2A POLB 2270/4885NPC1 4607/4885RAB9A 2860/4885

“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.