SCHEMBL6793785

SCHEMBL6793785

O=C[C@H](Cc1ccccc1)NC(=O)c1ccc(NC(=O)c2ccc3ccccc3c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.56
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
CAPN1 P07384 7/20 0.53
GCK P35557 5/20 0.48
PIN1 Q13526 4/20 0.47
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
HCAR3 P49019 1/20 0.44
CXCR2 P25025 1/20 0.44

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
SCHEMBL6793788 1.00 DEGS1 (0.56) DEGS1MEN1NPC1RAB9AKMT2A
SCHEMBL6802167 0.84 DEGS1 (0.57) DEGS1MEN1NPC1RAB9AKMT2A
SCHEMBL6802171 0.84 DEGS1 (0.57) DEGS1MEN1NPC1RAB9AKMT2A
SCHEMBL7789989 0.84 NR1H4 (0.58) DEGS1MEN1NPC1RAB9AKMT2A
SCHEMBL7789992 0.84 NR1H4 (0.58) DEGS1MEN1NPC1RAB9AKMT2A
SCHEMBL7791350 0.80 CAPN1 (0.64) CAPN1
SCHEMBL7789993 0.79 NR1H4 (0.62) CAPN1PIN1
SCHEMBL6800967 0.79 CAPN1 (0.52) MEN1NPC1RAB9AKMT2ACAPN1
SCHEMBL6800959 0.79 CAPN1 (0.52) MEN1NPC1RAB9AKMT2ACAPN1
SCHEMBL6801212 0.77 DEGS1 (0.75) DEGS1MEN1NPC1RAB9AKMT2A

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
EP-1073638-B1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2008-07-23 EP disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating MED INSTITUTE, INC. 2007-12-20 US disclosed
WO-2007081530-A2 ENDOLUMINAL MEDICAL DEVICE FOR LOCAL DELIVERY OF CATHEPSIN INHIBITORS MED INSTITUTE, INC. (US) 2007-07-19 WO disclosed
US-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use ABBOTT GMBH & CO. KG (DE) 2004-05-20 US disclosed
US-6630493-B1 Inhibitors of capain enzymes useful for the treatment of ischemias of the heart, the kidney or of central nervous system (e.g. \"stroke\"), inflammations, muscular dystrophy, cataracts of the eyes, Alzheimer's disease etc. BASF AKTIENGESELLSCHAFT (DE) 2003-10-07 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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 DEGS1 3477/4885MEN1 4075/4885NPC1 1797/4885
US-20070293937-A1 Endoluminal medical device for local delivery of cathepsin inhibitors, method of making and treating CTSS, CTSD, CTSV DEGS1 3432/4885MEN1 1175/4885NPC1 783/4885

“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.