SCHEMBL10180003

SCHEMBL10180003

COC(=O)c1cc(I)cc(I)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
PDGFRA P16234 1/20 0.40
FLT1 P17948 1/20 0.40
FGFR3 P22607 1/20 0.40
KDR P35968 1/20 0.40
PKM P14618 1/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SIRT6 Q8N6T7 1/20 0.37
CFTR P13569 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
COMT P21964 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.36
VCAM1 P19320 1/20 0.35

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
SCHEMBL11616565 0.83 ALDH1A1 (0.44) SMN1; SMN2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL10179802 0.83 CRHBP (0.41) SMN1; SMN2PKMALDH1A1MEN1KMT2A
SCHEMBL10179559 0.83 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ALMNA
SCHEMBL10180438 0.80 PKM (0.45) SMN1; SMN2PKMALDH1A1MEN1KMT2A
SCHEMBL28035661 0.79 MEN1 (0.31) PKMMEN1KMT2ALMNAHTT
SCHEMBL17707780 0.77 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2ACFTR
SCHEMBL11313411 0.76 CA12 (0.50) SMN1; SMN2PDGFRBFGFR1PDGFRAFLT1
SCHEMBL9324413 0.75 SOS1 (0.44) ALDH1A1CFTRLMNAKDM4EMAPT
SCHEMBL357183 0.75 SIRT6 (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL2901232 0.75 TDP1 (0.47) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 SMN1; SMN2 1855/4885PDGFRB 359/4885FGFR1 2526/4885

“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.