SCHEMBL6799313

SCHEMBL6799313

O=C(Nc1nc(C(=O)O)cs1)c1ccc2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.60
NPC1 O15118 7/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 2/20 0.51
GCK P35557 1/20 0.50
KDM4A O75164 1/20 0.49
KDM4B O94953 1/20 0.49
KDM5C P41229 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
POLB P06746 1/20 0.49
SCD O00767 1/20 0.49
DEGS1 O15121 1/20 0.49
MAPT P10636 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
SCHEMBL3603304 0.86 NPC1 (0.68) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL6799592 0.82 RAB9A (0.77) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL3602131 0.80 GCK (0.58) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL6799561 0.80 PIN1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6799566 0.80 PIN1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL13156873 0.80 NPC1 (0.74) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL6800967 0.79 CAPN1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6800959 0.79 CAPN1 (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3602994 0.79 MAPT (0.59) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL3604622 0.79 KDM4E (0.59) RAB9ANPC1MEN1KMT2AL3MBTL1

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 3 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
CN-1301255-A Heterocyclically substituted amides, their production and their use BASF AG (DE) 2001-06-27 CN 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 2537/4885NPC1 1797/4885MEN1 4075/4885

“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.