SCHEMBL10232245

SCHEMBL10232245

O=C(O)COc1ccc([N+](=O)O)cc1-n1cccc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.46
TDP1 Q9NUW8 1/20 0.39
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL2061679 0.88 PTGDR2 (0.61) PTGDR2TDP1POLBSMN1; SMN2L3MBTL1
SCHEMBL10232241 0.84 ALDH1A1 (0.42) POLBSMN1; SMN2MEN1KMT2APKM
SCHEMBL15304413 0.79 PTGDR2 (0.57) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL14199206 0.77 PTGDR2 (0.42) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL17311050 0.76 L3MBTL1 (0.54) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL7828077 0.75 MEN1 (0.45) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL13698963 0.75 TDP1 (0.38) PTGDR2TDP1POLBSMN1; SMN2GLA
SCHEMBL2061280 0.73 MAPT (0.50) PTGDR2POLBSMN1; SMN2KMT2APKM
SCHEMBL7822874 0.72 SLC9A1 (0.40) PTGDR2POLBSMN1; SMN2MEN1KMT2A
SCHEMBL10232248 0.71 TDP1 (0.36) TDP1POLBSMN1; SMN2MEN1KMT2A

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-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 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-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET PTGDR2 2577/4885TDP1 1885/4885POLB 2680/4885

“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.