SCHEMBL12427183

SCHEMBL12427183

O=C(O)NCNC(=O)NCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GAA P10253 1/20 0.35
PRMT1 Q99873 1/20 0.35
LDHA P00338 1/20 0.33
SRR Q9GZT4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
EPHX1 P07099 2/20 0.31

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
SCHEMBL813528 0.89
SCHEMBL12047678 0.87 CYP2D6 (0.32) CYP2D6CYP2C19TSHR
SCHEMBL14012665 0.75
SCHEMBL13241885 0.73 ALDH1A1 (0.35) ALDH1A1TSHRMAPK1TDP1EPHX1
SCHEMBL18886295 0.73 PRMT1 (0.46) CYP2D6CYP2C19PRMT1LDHASRR
SCHEMBL23779422 0.73
SCHEMBL12368562 0.71
SCHEMBL13156111 0.71 EPHX1 (0.41) CYP2D6CYP2C19ALDH1A1TSHRGAA
SCHEMBL14703489 0.71 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1TDP1
SCHEMBL13029372 0.71 HSD17B10 (0.40) ALDH1A1TSHRMAPK1TDP1SMN1; SMN2

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-7977504-B2 Process for producing isocyanates and aromatic hydroxy compounds ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-07-12 US disclosed
US-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS ASAHI KASEI CHEMICALS CORPORATION (JP) 2010-10-28 US 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-20100274047-A1 PROCESS FOR PRODUCING OF ISOCYANATES AND AROMATIC HYDROXY COMPOUNDS PAH, APEH, HPD CYP2D6 1584/4885CYP2C19 224/4885ALDH1A1 2913/4885

“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.