SCHEMBL3484617

SCHEMBL3484617

CCCc1cc(CBr)ccc1Br

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HRH3 Q9Y5N1 2/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
TSHR P16473 2/20 0.34
ALOX5 P09917 1/20 0.34
CA2 P00918 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
PYCR1 P32322 1/20 0.33
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
NFKB1 P19838 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.32
SNCA P37840 1/20 0.32

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
SCHEMBL3483919 0.83 GABRA1 (0.38) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL3484223 0.82 CNR1 (0.37) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL27672757 0.81 TSHR (0.36) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL31337448 0.80 CYP1A2 (0.37) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL4413276 0.77 CYP4F2 (0.37) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL26667643 0.77 HSP90AA1 (0.38) CYP1A2CYP2D6CYP2C19CYP2C9TSHR
SCHEMBL15720623 0.75 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL2936648 0.75 TRPA1 (0.40) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL30844586 0.75 CYP1A2 (0.36) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1
SCHEMBL25180906 0.74 MEN1 (0.34) CYP1A2CYP2D6CYP2C19CYP2C9NPSR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
US-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES GENFIT (FR) 2010-01-07 US disclosed
CN-101522192-A Substituted imidazolone derivatives, preparation and uses GENFIT (FR) 2009-09-02 CN disclosed
EP-2049107-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES Genfit (FR) 2009-04-22 EP disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO disclosed
WO-2008012470-A2 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATION AND USES GENFIT (FR) 2008-01-31 WO 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-20100004159-A1 SUBSTITUTED IMIDAZOLONE DERIVATIVES, PREPARATIONS AND USES IPO5, PPIP5K2, IPO4 CYP1A2 45/4885CYP2D6 69/4885CYP2C19 11/4885

“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.