SCHEMBL1844442

SCHEMBL1844442

CN(C)c1cc(Br)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
EGFR P00533 1/20 0.47
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 4/20 0.46
HTT P42858 1/20 0.46
HCAR3 P49019 1/20 0.46
S100A4 P26447 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL6506822 0.85 ALDH1A1 (0.58) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL30018445 0.85 ALDH1A1 (0.58) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL30490321 0.84 MAPT (0.40) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL29739895 0.82 CYP19A1 (0.49) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL20150149 0.82 CYP19A1 (0.49) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL30727350 0.82 MAPT (0.38) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL26985264 0.82 MAPT (0.38) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL7403916 0.80 MEN1 (0.53) MAPTEGFRALDH1A1KDM4EHCAR3
SCHEMBL15616427 0.79 ALDH1A1 (0.48) MAPTEGFRALDH1A1KDM4EHTT
SCHEMBL6541812 0.78 KMT2A (0.46) MAPTALDH1A1KDM4EHCAR3TSHR

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 MAPT 10/4885EGFR 4686/4885ALDH1A1 1948/4885

“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.