SCHEMBL4537053

SCHEMBL4537053

C/C(=C/c1cncc(Br)c1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
POLB P06746 3/20 0.41
HCAR2 Q8TDS4 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP11B2 P19099 2/20 0.40
PTGS1 P23219 3/20 0.39
PTGS2 P35354 2/20 0.39
NQO2 P16083 1/20 0.39
EGFR P00533 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
RAB9A P51151 2/20 0.37
PADI4 Q9UM07 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4540899 1.00 HTT (0.50) HTTALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL13585158 1.00 HTT (0.50) HTTALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL6727057 0.79 AKR1C3 (0.47) SMN1; SMN2ALDH1A1MAPTPTGS1PTGS2
SCHEMBL4771946 0.77 HTT (0.51) HTTALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL4771942 0.77 HTT (0.51) HTTALOX15SMN1; SMN2ALDH1A1MAPT
SCHEMBL5954016 0.77 ESR1 (0.53) SMN1; SMN2ALDH1A1MAPTPOLBPTGS1
SCHEMBL5954020 0.77 ESR1 (0.53) SMN1; SMN2ALDH1A1MAPTPOLBPTGS1
SCHEMBL1225178 0.73 ESR1 (0.58) ALDH1A1PTGS1PTGS2NQO2ESR1
SCHEMBL726320 0.73 ESR1 (0.58) ALDH1A1PTGS1PTGS2NQO2ESR1
SCHEMBL726321 0.73 ESR1 (0.58) ALDH1A1PTGS1PTGS2NQO2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
US-RE49735-E1 Oxazolidinones as modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-28 US disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
EP-2638022-B1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL MYERS SQUIBB CO (US) 2014-12-24 EP disclosed
US-8691821-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-08 US disclosed
US-8691821-B2 Oxazolidinones as modulators of mGluR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-08 US disclosed
EP-2638022-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 Bristol-Myers Squibb Company (US) 2013-09-18 EP disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
US-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 BRISTOL-MYERS SQUIBB COMPANY 2012-11-08 US disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 WO disclosed
WO-2012064603-A1 OXAZOLIDINONES AS MODULATORS OF MGLUR5 BRISTOL-MYERS SQUIBB COMPANY (US) 2012-05-18 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-20120283264-A1 Oxazolidinones as Modulators of MGLUR5 GRM5, GRIK5, GRM1 HTT 3168/4885ALOX15 1293/4885SMN1; SMN2 878/4885

“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.