SCHEMBL10179930

SCHEMBL10179930

CC(C)OCc1cc(I)cc(I)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 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 0.83 LMNA (0.34) HTTMEN1LMNAKMT2A
SCHEMBL10179520 0.80 KDM4E (0.33) HTTMEN1LMNAKMT2AMAPT
SCHEMBL10179689 0.78 F2RL3 (0.33) HTTMEN1LMNAKMT2AMAPT
SCHEMBL10180581 0.74 MEN1 (0.37) HTTMEN1LMNAKMT2A
SCHEMBL10180216 0.73 ATM (0.34) KMT2A
SCHEMBL10181129 0.73 PTPN1 (0.34)
SCHEMBL10181559 0.73 TSHR (0.53) HTTMEN1LMNAKMT2AMAPT
SCHEMBL10179802 0.69 CRHBP (0.41) HTTMEN1LMNAKMT2AMAPT
SCHEMBL6655188 0.68 ALDH1A1 (0.55) MEN1KMT2AMAPT
SCHEMBL27928234 0.67 ALDH1A1 (0.37) HTTLMNAMAPT

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

“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.