SCHEMBL1843804

SCHEMBL1843804

O=C(O)c1[c]ccc([N+](=O)[O-])c1NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
PTPRF P10586 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN11 Q06124 1/20 0.43
EGFR P00533 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 2/20 0.42
CYP2C19 P33261 4/20 0.41
CYP2C9 P11712 3/20 0.41
HTT P42858 3/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
CYP1A2 P05177 3/20 0.41
CRHBP P24387 2/20 0.41

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
SCHEMBL1839313 0.85 SMN1; SMN2 (0.43) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7479503 0.72 MAPT (0.66) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL27752933 0.72 FBP1 (0.45) MAPTALDH1A1L3MBTL1POLBCYP2C19
SCHEMBL27821455 0.71 MEN1 (0.48) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL2676405 0.71 EGFR (0.48) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL10731956 0.70 GPR35 (0.42) L3MBTL1LMNA
SCHEMBL9239153 0.70 CDK2 (0.51) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL27441189 0.70 MAPT (0.50) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL7422107 0.70 ALDH1A1 (0.52) MEN1KMT2AMAPTGAAALDH1A1
SCHEMBL4599148 0.70 MAPT (0.55) MEN1KMT2AMAPTGAAALDH1A1

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
EP-2320897-B1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORP (US) 2014-01-15 EP disclosed
US-8420640-B2 Methods of treating amyloid disease using analogs of 1-(4-nitrophenyl) piperazine TREVENTIS CORPORATION (US) 2013-04-16 US disclosed
US-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE TREVENTIS CORPORATION 2011-09-08 US disclosed
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP disclosed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 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-20110218200-A1 METHODS OF TREATING AMYLOID DISEASE USING ANALOGS OF 1-(4-NITROPHENYL) PIPERAZINE PSEN1, PSEN2, APP MEN1 2995/4885KMT2A 3647/4885MAPT 10/4885

“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.