SCHEMBL1706850

SCHEMBL1706850

COC(=O)COc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
HTT P42858 1/20 0.52
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL7996901 0.87 ALDH1A1 (0.56) ALDH1A1HTTKDM4ESMN1; SMN2TDP1
SCHEMBL30597073 0.87 ALDH1A1 (0.68) ALDH1A1HTTKDM4ESMN1; SMN2TDP1
SCHEMBL12309435 0.87 ALDH1A1 (0.68) ALDH1A1HTTKDM4ESMN1; SMN2TDP1
SCHEMBL17847080 0.85 ALDH1A1 (0.55) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL7999911 0.82 ALDH1A1 (0.49) ALDH1A1HTTKDM4ESMN1; SMN2KMT2A
SCHEMBL1137355 0.82 PTGS2 (0.49) ALDH1A1HTTKDM4ESMN1; SMN2KMT2A
SCHEMBL1141627 0.79 TDP1 (0.60) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL15518189 0.79 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TDP1KMT2AMEN1
SCHEMBL30072726 0.79 TDP1 (0.60) ALDH1A1HTTTSHRKDM4ESMN1; SMN2
SCHEMBL7996739 0.78 POLB (0.46) ALDH1A1HTTKDM4ESMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
US-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2012-06-07 US disclosed
EP-2440534-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS Cellzome Limited (GB) 2012-04-18 EP disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2010142766-A2 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS CELLZOME LIMITED (GB) 2010-12-16 WO disclosed
WO-2001044185-A1 CARBON MONOXIDE-BASED SYNTHESIS OF SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2001-06-21 WO 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-20120142667-A1 PYRIMIDINE DERIVATIVES AS ZAP-70 INHIBITORS ZAP70, LCK, DPY30 ALDH1A1 3057/4885HTT 4741/4885TSHR 2906/4885

“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.