SCHEMBL2759005

SCHEMBL2759005

Cc1ccc(C(c2ccc(N(CCO)CCO)cc2)c2ccc(N(CCO)CCO)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 4/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
MCL1 Q07820 1/20 0.42
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2C19 P33261 1/20 0.39
GRK6 P43250 1/20 0.36
CHRNA7 P36544 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL3893912 0.90 KMT2A (0.56) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL33921 0.88 CYP2C19 (0.47) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL2759029 0.85 SLC2A1 (0.50) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL2759083 0.81 KMT2A (0.69) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL2759024 0.81 KMT2A (0.53) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL21146474 0.81 KMT2A (0.49) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL17122222 0.81 CYP2C19 (0.41) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL903672 0.81 CYP2C19 (0.41) KMT2ALMNASMN1; SMN2NPSR1MAPT
SCHEMBL22415867 0.80 SLC2A1 (0.45) KMT2ALMNASMN1; SMN2TP53ATM
SCHEMBL18708852 0.79 GRK6 (0.54) MAPTHTTALDH1A1TDP1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828330-B2 Non-peptide BDNF neurotrophin mimetics PHARMATROPHIX, INC. (US) 2017-11-28 US disclosed
US-9604907-B2 Methods of facilitating neural cell survival using non-peptide and peptide BDNF neurotrophin mimetics THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-03-28 US disclosed
US-20160046559-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS PHARMATROPHIX, INC. (US) 2016-02-18 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-20070060526-A1 Methods of facilitating neural cell survival using non-peptide and peptide BDNF neurotrophin mimetics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-03-15 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 (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-20070060526-A1 Methods of facilitating neural cell survival using non-peptide and peptide BDNF neurotrophin mimetics BDNF, NTRK2, NGF KMT2A 3874/4885LMNA 2218/4885SMN1; SMN2 5/4885
US-20120004310-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF KMT2A 3890/4885LMNA 3046/4885SMN1; SMN2 34/4885
US-20160046559-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS NTRK2, BDNF, NTRK1 KMT2A 3852/4885LMNA 2805/4885SMN1; SMN2 47/4885
US-20140296343-A1 NON-PEPTIDE BDNF NEUROTROPHIN MIMETICS BDNF, NTRK2, NGF KMT2A 3890/4885LMNA 3046/4885SMN1; SMN2 34/4885

“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.