SCHEMBL10180937

SCHEMBL10180937

CCCOCc1cc(F)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.36
GRIN3B O60391 3/20 0.36
GRIN1 Q05586 3/20 0.36
GRIN2A Q12879 3/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN2C Q14957 3/20 0.36
GRIN3A Q8TCU5 3/20 0.36
F2RL3 Q96RI0 1/20 0.36
CYP19A1 P11511 4/20 0.35
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
COMT P21964 1/20 0.32
HPD P32754 1/20 0.31
TTR P02766 1/20 0.30
HSPB1 P04792 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
SCHEMBL10180016 0.89 CYP19A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180834 0.88 GRIN2D (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180170 0.81 TDP1 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12458282 0.81 ATM (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180216 0.78 ATM (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10181382 0.73 TSHR (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180149 0.73 PTPN1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10179689 0.73 F2RL3 (0.33) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10180093 0.73 ATM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2134335 0.73 ATM (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 GRIN2D 1201/4885GRIN3B 1310/4885GRIN1 2148/4885

“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.