SCHEMBL860147

SCHEMBL860147

FC(F)(c1cccc(Br)n1)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 2/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ SENP7 Q9BQF6 1/20 0.30
▸ SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL839605 0.84 IDH2 (0.34) IDH1
SCHEMBL955898 0.72 PGK1 (0.38) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL37428 0.72 GABRA1 (0.47) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL29079806 0.72 GPR119 (0.46) IDH1
SCHEMBL5646151 0.69 GABRA1 (0.36) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL31078226 0.69 IDH1 (0.37) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL30041313 0.69 GABRA1 (0.36) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL1437359 0.69 IDH1 (0.37) IDH1GABRA1GABRG2GABRB3GABRA3
SCHEMBL29272376 0.69 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA3
SCHEMBL906764 0.69 GABRA1 (0.36) IDH1GABRA1GABRG2GABRB3GABRA3

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-8143246-B2 1-(4-(pyridin-2-yl)benzyl)imidazolidine-2,4-dione derivatives MSD OSS B.V. (NL) 2012-03-27 — — US disclosed
US-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES N.V.ORGANON 2010-06-10 — — 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-20100144724-A1 1-(4-(PYRIDIN-2-YL)BENZYL)IMIDAZOLIDINE-2,4-DIONE DERIVATIVES OPRD1, CNR1, CNR2 IDH1 934/4885GABRA1 229/4885GABRG2 445/4885

“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.

Send feedback