SCHEMBL10180581

SCHEMBL10180581

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.32
TTR P02766 1/20 0.32
S100A4 P26447 1/20 0.32
SNCA P37840 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PARP1 P09874 1/20 0.31
XDH P47989 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
SCHEMBL10179697 0.77 LMNA (0.34) MEN1LMNAHTTKMT2ATSHR
SCHEMBL10179520 0.75 KDM4E (0.33) MEN1LMNAHTTKMT2AALDH1A1
SCHEMBL16953762 0.74 ALDH1A1 (0.39) MEN1LMNAHTTKMT2ACYP3A4
SCHEMBL10179930 0.74 HTT (0.32) MEN1LMNAHTTKMT2A
SCHEMBL10179689 0.73 F2RL3 (0.33) MEN1LMNAHTTKMT2A
SCHEMBL29899364 0.71 TSHR (0.54) MEN1KMT2ACYP3A4TTRS100A4
SCHEMBL10180438 0.70 PKM (0.45) MEN1LMNAHTTKMT2ACYP3A4
SCHEMBL2370163 0.69 TTR (0.42) TTR
SCHEMBL8439887 0.69 S100A4 (0.43) CYP3A4S100A4TSHRALDH1A1
SCHEMBL29425551 0.69 TTR (0.42) TTR

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 MEN1 1707/4885LMNA 2498/4885HTT 4169/4885

“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.