SCHEMBL2390380

SCHEMBL2390380

CCOC(=O)C1CCCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.63
▸ CYP1A2 P05177 4/20 0.63
▸ CYP2C9 P11712 4/20 0.63
▸ CYP2C19 P33261 4/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63
▸ CYP3A4 P08684 3/20 0.63
▸ SIRT6 Q8N6T7 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.57
▸ HTR6 P50406 1/20 0.55
▸ HTT P42858 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ USP2 O75604 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ THRB P10828 1/20 0.54
▸ S100A4 P26447 1/20 0.54
▸ RECQL P46063 1/20 0.54
▸ SERPINE1 P05121 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49

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
SCHEMBL1844417 0.89 MAPT (0.65) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1842067 0.88 MAPT (0.72) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684789 0.87 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684788 0.85 MAPT (0.70) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1846387 0.84 MAPT (0.66) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL18104338 0.82 MAPT (0.74) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1845533 0.79 MAPT (0.74) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684748 0.77 MAPT (0.69) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL12684805 0.77 MAPT (0.74) MAPTCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL17599556 0.77 KMT2A (0.57) MAPTCYP1A2CYP2C9CYP2C19NPSR1

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 3 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

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 10/4885CYP1A2 4025/4885CYP2C9 4845/4885

“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.

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