SCHEMBL1848333

SCHEMBL1848333

O=Cc1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.71
MAPT P10636 12/20 0.57
CYP3A4 P08684 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP1A2 P05177 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SIRT6 Q8N6T7 1/20 0.57
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL2389106 0.90 MAPT (0.71) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2390186 0.86 L3MBTL1 (0.67) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2390279 0.84 MEN1 (0.67) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL1846574 0.84 MAPT (0.69) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2483723 0.83 HTR6 (1.00) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2389087 0.83 MAPT (0.68) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2787030 0.82 HTR6 (0.74) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2393159 0.82 HTR6 (0.72) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2389705 0.82 MAPT (0.65) HTR6MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL2482386 0.81 HTR6 (1.00) HTR6MAPTCYP3A4CYP2C9CYP2C19

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2320897-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE Treventis Corporation (US) 2011-05-18 EP claimed
WO-2010025375-A1 COMPOSITIONS AND METHODS OF TREATING AMYLOID DISEASE TREVENTIS CORPORATION (US) 2010-03-04 WO claimed
US-11568956-B2 Methods for identifying inhibitors of amyloid protein aggregation TREVENTIS CORPORATION (US) 2023-01-31 US disclosed
US-20190050526-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2019-02-14 US disclosed
US-20160283652-A1 METHODS FOR IDENTIFYING INHIBITORS OF AMYLOID PROTEIN AGGREGATION TREVENTIS CORPORATION (US) 2016-09-29 US 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 HTR6 1377/4885MAPT 10/4885CYP3A4 4220/4885

“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.