SCHEMBL5582291

SCHEMBL5582291

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
GAA P10253 4/20 0.40
KDM4E B2RXH2 2/20 0.40
BAZ2B Q9UIF8 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
BAZ1A Q9NRL2 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL21722656 0.78 GRIN2D (0.41) MAPTGAAKDM4EBAZ2BSMN1; SMN2
SCHEMBL29575133 0.78 GRIN2D (0.41) MAPTGAAKDM4EBAZ2BSMN1; SMN2
SCHEMBL8669474 0.74 CA1 (0.41) MAPTGAAKDM4ECA1CA2
SCHEMBL2320088 0.74 MAPT (0.43) MAPTGAAKDM4ESMN1; SMN2HTT
SCHEMBL5582446 0.74 ALDH1A1 (0.40) ALDH1A1
SCHEMBL8669479 0.71 KDM4E (0.33) MAPTGAAKDM4E
SCHEMBL29207333 0.70 MAPT (0.40) MAPTGAAKDM4ESMN1; SMN2HTT
SCHEMBL8669483 0.70 KDM4E (0.33) MAPTGAAKDM4ESMN1; SMN2
SCHEMBL9093677 0.70 MAPT (0.34) MAPTGAAKDM4ESMN1; SMN2
SCHEMBL14415151 0.70 SMN1; SMN2 (0.50) MAPTGAAKDM4ESMN1; SMN2HTT

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 MAPT 4167/4885GAA 3308/4885KDM4E 2706/4885

“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.