SCHEMBL6801212

SCHEMBL6801212

O=C(O)c1ccc(NC(=O)c2ccc3ccccc3c2)nc1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.75
NPC1 O15118 3/20 0.73
RAB9A P51151 3/20 0.73
MEN1 O00255 2/20 0.73
KMT2A Q03164 2/20 0.73
HCAR3 P49019 2/20 0.73
GCK P35557 9/20 0.62
RARA P10276 1/20 0.56
RARB P10826 1/20 0.56
RARG P13631 1/20 0.56
KDM4E B2RXH2 1/20 0.54
SIRT2 Q8IXJ6 1/20 0.52

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
SCHEMBL29518552 0.86 DEGS1 (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL20284450 0.86 DEGS1 (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL6795856 0.85 DEGS1 (0.70) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL2664544 0.85 HCAR3 (1.00) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL14979240 0.84 DEGS1 (0.73) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL26889461 0.81 DEGS1 (0.57) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL14979243 0.81 NPC1 (0.70) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL27451977 0.81 HCAR3 (0.69) DEGS1HCAR3GCKRARARARB
SCHEMBL26891626 0.79 PTPN1 (0.62) DEGS1NPC1RAB9AMEN1KMT2A
SCHEMBL14979196 0.79 DEGS1 (0.65) DEGS1NPC1RAB9AMEN1KMT2A

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-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 (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-20040097508-A1 Novel heterocyclically substituted amides, their preparation and use CAPN1, CAPNS1, CAPN2 DEGS1 3477/4885NPC1 1797/4885RAB9A 2537/4885

“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.