SCHEMBL611409

SCHEMBL611409

C#C[C@@H](C)NCc1ccc(NC(=O)OC2CCc3ccccc32)c2ncccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.36
CTSL P07711 2/20 0.36
CTSS P25774 2/20 0.36
CTSK P43235 2/20 0.36
KDM4E B2RXH2 10/20 0.35
ALOX12 P18054 6/20 0.35
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 5/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
TP53 P04637 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
LMNA P02545 5/20 0.34
HTT P42858 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
GAA P10253 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL611410 0.83 ACHE (0.53) CTSVCTSLCTSSCTSKACHE
SCHEMBL611971 0.83 ACHE (0.53) CTSVCTSLCTSSCTSKACHE
SCHEMBL608272 0.79 BCHE (0.42) ALDH1A1KMT2ALMNAACHEBCHE
SCHEMBL15912314 0.64 CTSV (0.56) CTSVCTSLCTSSCTSKALDH1A1
SCHEMBL11203577 0.63 IDO1 (0.51) CTSVCTSLCTSSCTSKOPRK1
SCHEMBL14838283 0.63 IDO1 (0.51) CTSVCTSLCTSSCTSKOPRK1
SCHEMBL10053435 0.62 ACHE (0.65) KMT2ALMNASMN1; SMN2ACHEBCHE
SCHEMBL608273 0.62 ACHE (0.65) KMT2ALMNASMN1; SMN2ACHEBCHE
SCHEMBL608274 0.62 ACHE (0.65) KMT2ALMNASMN1; SMN2ACHEBCHE
SCHEMBL623365 0.61 MAOA (0.56) KDM4EALOX12MAPTALDH1A1KMT2A

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-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

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 CTSV 1481/4885CTSL 1940/4885CTSS 861/4885

“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.