SCHEMBL610488

SCHEMBL610488

C#CCN1CCN(Cc2ccc(OC(=O)N3CCCCC3)c3ncccc23)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
MAPT P10636 5/20 0.60
KMT2A Q03164 4/20 0.60
HSD17B10 Q99714 2/20 0.60
MEN1 O00255 1/20 0.60
MAOB P27338 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.53
MPI P34949 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
NFKB1 P19838 4/20 0.52
NFKB2 Q00653 4/20 0.52
RELA Q04206 4/20 0.52
TP53 P04637 3/20 0.52
ALOX12 P18054 3/20 0.52
BRD4 O60885 2/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL609416 0.99 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL608216 0.90 USP2 (0.57) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL13261482 0.87 MAOB (0.58) ALDH1A1KDM4EMAPTKMT2AMAOB
SCHEMBL610507 0.84 BCHE (0.64) ALDH1A1KDM4EMAPTKMT2AMAOB
SCHEMBL610610 0.84 MAOB (0.55) ALDH1A1KDM4EMAPTKMT2AMAOB
SCHEMBL611607 0.83 KDM4E (0.56) ALDH1A1KDM4EMAPTKMT2AMAOB
SCHEMBL611523 0.82 BCHE (0.54) ALDH1A1KDM4EMAPTKMT2AMAOB
SCHEMBL608918 0.81 ACHE (0.71) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL609871 0.80 ACHE (0.72) ALDH1A1KDM4EMAPTKMT2AHSD17B10
SCHEMBL113806 0.79 MAOB (0.81) ALDH1A1KDM4EMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-8802675-B2 Neuroprotective multifunctional compounds and pharmaceutical compositions comprising them TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD (IL) 2014-08-12 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
US-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2012-02-16 US disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 WO disclosed
WO-2010086860-A2 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2010-08-05 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 (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-20120040993-A1 NEUROPROTECTIVE MULTIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM GSR, GRIN1, GRIN2A ALDH1A1 1552/4885KDM4E 3218/4885MAPT 1195/4885

“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.