SCHEMBL2759072

SCHEMBL2759072

CCCN(CCC)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
POLB P06746 1/20 0.51
KCNH2 Q12809 2/20 0.47
ALDH1A1 P00352 4/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
TLR9 Q9NR96 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL5692166 0.92 MAPT (0.62) MAPTPOLBKCNH2ALDH1A1CRHBP
Ethane SCHEMBL3302283 0.90 MAPT (0.60) MAPTPOLBKCNH2ALDH1A1CRHBP
SCHEMBL13292848 0.85 MAPT (0.58) MAPTKCNH2ALDH1A1CRHBPCRHR2
SCHEMBL9362626 0.83 PTGS2 (0.55) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL9362623 0.83 PTGS2 (0.55) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL29671343 0.83 MAPT (0.55) MAPTALDH1A1CRHBPCRHR2MEN1
SCHEMBL2492761 0.82 ALDH1A1 (0.52) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5835749 0.81 MAPT (0.73) MAPTKCNH2ALDH1A1CRHBPCRHR2
SCHEMBL3979891 0.79 MAPT (0.64) MAPTKCNH2ALDH1A1CRHBPCRHR2
SCHEMBL3691462 0.79 MAPT (0.64) MAPTKCNH2ALDH1A1CRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2014-10-02 US disclosed
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2012-01-05 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 (2 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-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF MAPT 178/4885POLB 3850/4885KCNH2 4565/4885
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF MAPT 178/4885POLB 3850/4885KCNH2 4565/4885

“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.