SCHEMBL5582446

SCHEMBL5582446

Nc1c(Br)cc2c(c1[N+](=O)[O-])CCC2=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CTSB P07858 1/20 0.36
TYMS P04818 1/20 0.34
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2A Q12879 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 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
SCHEMBL5582291 0.74 MAPT (0.40) ALDH1A1
SCHEMBL21962340 0.73 GRIN1 (0.48) ALDH1A1CYP3A4CTSBGRIN2DGRIN3B
SCHEMBL2493684 0.71 GRIN2D (0.36) ALDH1A1CYP3A4GRIN2DGRIN3BGRIN1
SCHEMBL8669857 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4CTSB
SCHEMBL8669853 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4CTSB
SCHEMBL8671076 0.71 ALDH1A1 (0.39) ALDH1A1CYP3A4CTSB
SCHEMBL18007639 0.70 GRIN2D (0.51) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL20502557 0.70 GRIN2D (0.48) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
Hydrochloric Acid SCHEMBL8668055 0.70 ALDH1A1 (0.38) ALDH1A1CYP3A4CTSB
SCHEMBL4811634 0.69 S100A4 (0.46) ALDH1A1CYP3A4HSD17B10GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
US-20070087346-A1 Orthogonal gene switches CILIBERTO GENNARO 2007-04-19 US disclosed
EP-1680447-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2006-07-19 EP disclosed
WO-2005040212-A2 ORTHOGONAL GENE SWITCHES ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2005-05-06 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-20070087346-A1 Orthogonal gene switches TCF12, JUN, TCF7 ALDH1A1 3117/4885CYP3A4 3618/4885CTSB 3137/4885

“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.