SCHEMBL10179689

SCHEMBL10179689

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 1/20 0.33
MAPT P10636 1/20 0.32
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP19A1 P11511 1/20 0.30
PTPN1 P18031 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
SCHEMBL10179520 0.88 KDM4E (0.33) MAPTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10179697 0.81 LMNA (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL10179930 0.78 HTT (0.32) MAPTMEN1LMNAHTTKMT2A
SCHEMBL10180149 0.73 PTPN1 (0.35) F2RL3MAPTGRIN2DGRIN3BGRIN1
SCHEMBL10180937 0.73 GRIN2D (0.36) F2RL3MAPTGRIN2DGRIN3BGRIN1
SCHEMBL10181382 0.73 TSHR (0.51) F2RL3MAPTGRIN2DGRIN3BGRIN1
SCHEMBL10180581 0.73 MEN1 (0.37) MEN1LMNAHTTKMT2A
SCHEMBL6658253 0.69 ALDH1A1 (0.53) F2RL3MAPTMEN1KMT2A
SCHEMBL28041429 0.68 NPC1 (0.38) F2RL3MAPTMEN1LMNAHTT
SCHEMBL28041426 0.68 HPGD (0.43) MAPTMEN1LMNAKMT2A

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 F2RL3 3839/4885MAPT 4300/4885GRIN2D 1201/4885

“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.