SCHEMBL2759014

SCHEMBL2759014

CC(C)(C)C(c1ccc(Cl)cc1)c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
LMNA P02545 3/20 0.54
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
AOC3 Q16853 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL2759083 0.82 KMT2A (0.69) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL1234089 0.81 KMT2A (0.57) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL23843796 0.77 TSHR (0.61) KMT2ALMNATP53MAPK1TDP1
SCHEMBL2759025 0.76 KMT2A (0.62) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL345445 0.76 EGFR (0.49) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL2759053 0.74 LMNA (0.59) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL2759044 0.73 KMT2A (0.48) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL2759039 0.73 KMT2A (0.50) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL16082902 0.72 KMT2A (0.45) KMT2ALMNATP53SMN1; SMN2ATM
SCHEMBL8725859 0.72 KMT2A (0.38) KMT2ALMNATP53SMN1; SMN2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828332-B2 Non-peptide BDNF neurotrophin mimetics PharmatorophiX, Inc. (US) 2017-11-28 US disclosed
US-9828330-B2 Non-peptide BDNF neurotrophin mimetics PHARMATROPHIX, INC. (US) 2017-11-28 US disclosed
US-9828332-B2 Non-peptide BDNF neurotrophin mimetics PharmatorophiX, Inc. (US) 2017-11-28 US disclosed
US-9828330-B2 Non-peptide BDNF neurotrophin mimetics PHARMATROPHIX, INC. (US) 2017-11-28 US disclosed
US-20160046559-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. (US) 2016-02-18 US disclosed
US-20160046559-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. (US) 2016-02-18 US disclosed
US-20160023990-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2016-01-28 US disclosed
US-20160023990-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2016-01-28 US disclosed
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2014-10-02 US disclosed
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
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. 2012-01-05 US disclosed
WO-2011150347-A2 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX (US) 2011-12-01 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 (4 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-20160023990-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF KMT2A 3890/4885LMNA 3046/4885TP53 3665/4885
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF KMT2A 3890/4885LMNA 3046/4885TP53 3665/4885
US-20160046559-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS NTRK2, BDNF, NTRK1 KMT2A 3852/4885LMNA 2805/4885TP53 3106/4885
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF KMT2A 3890/4885LMNA 3046/4885TP53 3665/4885

“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.