SCHEMBL1839313

SCHEMBL1839313

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPSR1 Q6W5P4 2/20 0.42
RAB9A P51151 2/20 0.42
AR P10275 1/20 0.42
ALDH1A1 P00352 4/20 0.42
GAA P10253 4/20 0.42
MAPT P10636 7/20 0.41
CRHBP P24387 3/20 0.41
CRHR2 Q13324 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 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
SCHEMBL1843804 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL7422107 0.83 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL4619084 0.73 ALDH1A1 (0.47) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL1608610 0.73 ALOX15 (0.58) SMN1; SMN2KMT2ANPSR1RAB9AALDH1A1
SCHEMBL6582296 0.70 SMN1; SMN2 (0.65) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL1967194 0.70 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL8966773 0.70 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL1843975 0.70 ALDH1A1 (0.59) SMN1; SMN2KMT2ANPSR1RAB9AALDH1A1
SCHEMBL1974278 0.70 L3MBTL1 (0.50) SMN1; SMN2MEN1KMT2ANPSR1RAB9A
SCHEMBL17042260 0.69 NPSR1 (0.55) SMN1; SMN2MEN1KMT2ANPSR1RAB9A

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 SMN1; SMN2 84/4885MEN1 2995/4885KMT2A 3647/4885

“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.