SCHEMBL6799602

SCHEMBL6799602

O=C[C@H](Cc1ccccc1)NC(=O)c1cccnc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 10/20 0.56
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
GLO1 Q04760 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
BCL2 P10415 1/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
BCL2A1 Q16548 1/20 0.41
IDO1 P14902 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL6799603 1.00 CAPN1 (0.56) CAPN1MEN1KMT2ATDP1GLO1
SCHEMBL7791340 0.86 CAPN1 (0.60) CAPN1BCL2BCL2L1MCL1BCL2A1
SCHEMBL7384115 0.86 CAPN1 (0.60) CAPN1BCL2BCL2L1MCL1BCL2A1
SCHEMBL6796785 0.86 PDE10A (0.45) MEN1KMT2ATDP1GLO1HTT
SCHEMBL6796795 0.86 PDE10A (0.45) MEN1KMT2ATDP1GLO1HTT
SCHEMBL7787808 0.81 ALDH1A1 (0.56) CAPN1MEN1KMT2ASMN1; SMN2F2
SCHEMBL7787807 0.81 ALDH1A1 (0.56) CAPN1MEN1KMT2ASMN1; SMN2F2
SCHEMBL7790018 0.80 CAPN1 (0.53) CAPN1MEN1KMT2ASMN1; SMN2F2
SCHEMBL7790014 0.80 CAPN1 (0.53) CAPN1MEN1KMT2ASMN1; SMN2F2
SCHEMBL7787021 0.80 CAPN1 (0.53) CAPN1MEN1KMT2AHTTSMN1; SMN2

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 CAPN1 1/4885MEN1 4075/4885KMT2A 4109/4885

“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.