SCHEMBL6466349

SCHEMBL6466349

CC/C(=C\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.59
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PTGS2 P35354 3/20 0.49
APP P05067 1/20 0.47
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.45
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.43
ESR1 P03372 1/20 0.43
CYP19A1 P11511 1/20 0.43
ESR2 Q92731 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL6466353 1.00 FBP1 (0.59) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL6466356 1.00 FBP1 (0.59) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1252605 0.84 FBP1 (0.57) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1750291 0.84 FBP1 (0.47) FBP1MAPTALDH1A1PTGS2ACHE
SCHEMBL13092439 0.84 ESR1 (0.50) FBP1MAPTKDM4EALDH1A1MEN1
SCHEMBL16479270 0.84 FBP1 (0.56) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL1032674 0.84 FBP1 (0.47) FBP1MAPTALDH1A1PTGS2ACHE
SCHEMBL18484537 0.82 FBP1 (0.54) FBP1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL11468826 0.82 FBP1 (0.61) FBP1MAPTALDH1A1PTGS2MEN1
SCHEMBL11468825 0.82 FBP1 (0.61) FBP1MAPTALDH1A1PTGS2MEN1

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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2005-05-12 US disclosed
EP-1466902-A1 ANDROGEN RECEPTOR ANTAGONISTS Takeda Chemical Industries, Ltd. (JP) 2004-10-13 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-20050101657-A1 Pyrrole derivatives for preventing or treating cancer sensitive to hormones; administered with luteininzing hormone releasing hormone derivative SHBG, PRLHR, FSHR FBP1 3072/4885MAPT 4864/4885KDM4E 1858/4885

“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.