SCHEMBL6799592

SCHEMBL6799592

CCOC(=O)c1csc(NC(=O)c2ccc3ccccc3c2)n1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.77
SMN1; SMN2 Q16637 7/20 0.77
NPC1 O15118 6/20 0.77
HSP90AA1 P07900 3/20 0.72
MAPT P10636 1/20 0.72
MAPK1 P28482 1/20 0.72
LMNA P02545 4/20 0.71
HSD17B10 Q99714 2/20 0.71
NPSR1 Q6W5P4 1/20 0.71
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
TDP1 Q9NUW8 1/20 0.64
HPGD P15428 3/20 0.63
TSHR P16473 1/20 0.63
POLB P06746 2/20 0.61
GLA P06280 1/20 0.61
CYP1A2 P05177 1/20 0.59
CYP2C19 P33261 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58

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
SCHEMBL3594194 0.87 RAB9A (1.00) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL13156875 0.84 SMN1; SMN2 (0.73) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL3607419 0.84 LMNA (0.71) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL27943745 0.84 SMN1; SMN2 (0.83) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL6968584 0.83 LMNA (1.00) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL3597627 0.83 SMN1; SMN2 (0.75) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL3608921 0.82 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL3594123 0.82 SMN1; SMN2 (0.78) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT
SCHEMBL6799313 0.82 RAB9A (0.60) RAB9ASMN1; SMN2NPC1MAPTKDM4E
SCHEMBL14270047 0.81 LMNA (0.67) RAB9ASMN1; SMN2NPC1HSP90AA1MAPT

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 RAB9A 2537/4885SMN1; SMN2 139/4885NPC1 1797/4885

“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.