SCHEMBL3611099

SCHEMBL3611099

C/C(=C/c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 2/20 0.69
FBP1 P09467 3/20 0.67
ABL1 P00519 1/20 0.57
EGFR P00533 1/20 0.57
ABL2 P42684 1/20 0.57
NFE2L2 Q16236 3/20 0.56
VCP P55072 1/20 0.54
CYP19A1 P11511 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HIF1A Q16665 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
ITGB2 P05107 1/20 0.49
ICAM1 P05362 1/20 0.49
ITGAL P20701 1/20 0.49

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
SCHEMBL3611102 1.00 GLO1 (0.69) GLO1FBP1ABL1EGFRABL2
SCHEMBL3611103 1.00 GLO1 (0.69) GLO1FBP1ABL1EGFRABL2
SCHEMBL6771050 0.86 GLO1 (0.73) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL9185250 0.83 GLO1 (0.73) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL9185254 0.83 GLO1 (0.73) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL10464832 0.83 GLO1 (0.73) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL10507269 0.82 GLO1 (0.68) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL8028846 0.82 GLO1 (1.00) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL10511400 0.82 GLO1 (0.68) GLO1FBP1NFE2L2VCPCYP19A1
SCHEMBL14230254 0.81 FBP1 (0.66) GLO1FBP1ABL1EGFRABL2

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-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 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 (2 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 GLO1 3873/4885FBP1 2082/4885ABL1 3809/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 GLO1 420/4885FBP1 4360/4885ABL1 4507/4885

“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.