SCHEMBL4204178

SCHEMBL4204178

CO/C(=N\[N+](=O)[O-])N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
GAA P10253 1/20 0.32
GSR P00390 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
CASP6 P55212 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
ALOX12 P18054 1/20 0.30
RECQL P46063 1/20 0.30
ADAM17 P78536 1/20 0.30
ADH1C P00326 1/20 0.30
ADH1A P07327 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
SCHEMBL4204182 1.00 TSHR (0.38) TSHRMEN1KMT2ATRPM8GAA
SCHEMBL11653156 0.70 TSHR (0.37) TSHRTRPM8PHGDH
SCHEMBL4209002 0.70 ALDH1A1 (0.31)
SCHEMBL4209001 0.70 ALDH1A1 (0.31)
SCHEMBL1717476 0.62 TSHR (0.42) TSHRMEN1KMT2ATRPM8GAA
SCHEMBL4209061 0.61 CA12 (0.36)
SCHEMBL4209058 0.61 CA12 (0.36)
SCHEMBL6063380 0.60 GSR (0.36) MEN1KMT2AGSRPHGDHMGLL
SCHEMBL28807494 0.59 KMT2A (0.36) TSHRMEN1KMT2AGSRADH1C
SCHEMBL1712105 0.59 SPHK1 (0.47) TSHRMEN1KMT2ATRPM8GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090018364-A1 METHOD FOR NITRATING ISOUREA SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-01-15 US disclosed
EP-1997802-A1 METHOD FOR NITRATING ISOUREA Sumitomo Chemical Company, Limited (JP) 2008-12-03 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-20090018364-A1 METHOD FOR NITRATING ISOUREA NIT2, NOS3, NOS2 TSHR 106/4885MEN1 1598/4885KMT2A 4349/4885

“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.