SCHEMBL4514211

SCHEMBL4514211

CCCC(C(=O)O)n1cc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.43
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
CNR2 P34972 2/20 0.37
DRD2 P14416 1/20 0.37
SLC6A4 P31645 1/20 0.37
PTPN1 P18031 1/20 0.36
TP53 P04637 1/20 0.36
CCR1 P32246 1/20 0.35
ACE P12821 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
SCHEMBL4499190 0.91 CNR2 (0.36) MDM2CNR2DRD2SLC6A4PTPN1
SCHEMBL4491602 0.80 KDM4E (0.36) CNR2DRD2
SCHEMBL4503417 0.80 MAP3K5 (0.36) SLC6A4
SCHEMBL3987226 0.78 TP53 (0.41) MDM2TP53
SCHEMBL4502893 0.72 POLB (0.41) CNR2DRD2SLC6A4TP53
SCHEMBL4499313 0.70 KDM4E (0.43) MDM2CNR2DRD2SLC6A4TP53
SCHEMBL14460123 0.70 CXCR4 (0.40) TP53
SCHEMBL4502829 0.70 DRD2 (0.37) MDM2DRD2SLC6A4PTPN1TP53
SCHEMBL8232880 0.67 AVPR2 (0.38) CNR2TP53
SCHEMBL4508418 0.66 SLC6A9 (0.37) MDM2

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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors BAYER HEALTHCARE AG (DE) 2009-12-17 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-20090312381-A1 Substituted Arylimidazolone and Triazolone as Inhibitors of Vasopressin Receptors AVPR2, AVPR1A, AVPR1B MDM2 2419/4885MMP2 1662/4885MMP9 3043/4885

“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.