SCHEMBL10180684

SCHEMBL10180684

O=[N+]([O-])c1c(Br)cc(Br)cc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
SNCA P37840 1/20 0.35
PITRM1 Q5JRX3 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
NOD2 Q9HC29 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 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
SCHEMBL19064219 0.82 ALDH1A1 (0.37) ERN1SNCAMEN1MAPTKMT2A
SCHEMBL6759012 0.80 ALDH1A1 (0.41) ERN1LMNAGRIN2DGRIN3BGRIN1
SCHEMBL10179912 0.77 GRIN2D (0.36) ERN1MEN1LMNAMAPTHTT
SCHEMBL10180308 0.75 GRIN2D (0.35) ERN1MEN1LMNAMAPTHTT
SCHEMBL11823723 0.75 TSHR (0.41) ERN1SNCACYP3A4TSHRTDP1
SCHEMBL16958097 0.74 ALDH1A1 (0.39) MEN1LMNAMAPTKMT2ACYP3A4
SCHEMBL10181129 0.74 PTPN1 (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180149 0.73 PTPN1 (0.35) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28931552 0.71 MEN1 (0.36) ERN1MEN1LMNAMAPTHTT
SCHEMBL2645164 0.71 ALDH1A1 (0.41) MEN1LMNAMAPTHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474536-B1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL IND CO (JP) 2014-06-25 EP disclosed
US-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF IHARA CHEMICAL INDUSTRY CO., LTD (JP) 2012-07-12 US disclosed
EP-2474536-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF Ihara Chemical Industry Co., Ltd. (JP) 2012-07-11 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-20120178931-A1 PROCESS FOR PREPARATION OF PYRIMIDINYLACETONITRILE DERIVATIVES AND INTERMEDIATES FOR SYNTHESIS THEREOF DPYD, UMPS, PNP ERN1 2488/4885SNCA 3192/4885PITRM1 4585/4885

“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.