SCHEMBL3134708

SCHEMBL3134708

CC(C)=Cc1ccc(Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
ALDH1A1 P00352 4/20 0.38
TTR P02766 2/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 1/20 0.35
STAT3 P40763 1/20 0.35
RAB9A P51151 1/20 0.35
MCL1 Q07820 1/20 0.35
NT5E P21589 1/20 0.35
ERN1 O75460 1/20 0.34
HTT P42858 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL27322404 0.82 AKR1C3 (0.43) GABRA1GABRG2GABRB3ALDH1A1MAPK1
SCHEMBL22334417 0.82 GABRA1 (0.66) GABRA1GABRG2GABRB3ALDH1A1TTR
SCHEMBL2270327 0.78 FBP1 (0.44) GABRA1GABRG2GABRB3ALDH1A1MAPK1
SCHEMBL2270322 0.78 FBP1 (0.44) GABRA1GABRG2GABRB3ALDH1A1MAPK1
SCHEMBL3135909 0.78 SIGMAR1 (0.38) GABRA1GABRG2GABRB3ALDH1A1MAPK1
SCHEMBL27817035 0.77 NT5E (0.38) GABRA1GABRG2GABRB3ALDH1A1TTR
SCHEMBL3133556 0.76 DGAT1 (0.40) ALDH1A1MAPTLMNARAB9AERN1
SCHEMBL24309705 0.73 ERN1 (0.59) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL2417982 0.72 ALDH1A1 (0.48) ALDH1A1TTRMEN1KMT2AMAPT
SCHEMBL141039 0.72 TDP1 (0.61) ALDH1A1TTRNT5EERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1873153-B1 3-AZETIDINECARBOXYLIC ACID DERIVATIVES FOR USE AS IMMUNOSUPPRESSANTS DAIICHI SANKYO CO LTD (JP) 2010-07-07 EP disclosed
US-7687491-B2 Heterocyclic compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-30 US disclosed
US-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-05-15 US disclosed
EP-1873153-A1 HETEROCYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-02 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-20080113961-A1 Immunosuppressants with low toxicity; 1-({4-Methyl-5-[5-(4-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-thienyl}methyl)azetidine-3-carboxylic acid for example; autoimmune diseases and transplant rejection; N-substituted azetidine, pyrrolidine or piperidine compounds TPMT, AZI2, IDO1 GABRA1 630/4885GABRG2 605/4885GABRB3 1220/4885

“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.