SCHEMBL4786597

SCHEMBL4786597

O=C(O)c1cccnc1NS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 2/20 0.56
GLO1 Q04760 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
AKR1C3 P42330 1/20 0.50
POLB P06746 1/20 0.50
CCR2 P41597 1/20 0.50
SLC16A3 O15427 2/20 0.49
DHODH Q02127 1/20 0.49
BCL2 P10415 1/20 0.48
BCL2L1 Q07817 1/20 0.48
MCL1 Q07820 1/20 0.48
BCL2A1 Q16548 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
SLC7A11 Q9UPY5 1/20 0.47

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
SCHEMBL6798889 0.86 MEN1 (0.56) MEN1KMT2AALDH1A1TDP1GLO1
SCHEMBL5333432 0.85 DHODH (0.58) MEN1KMT2ATDP1GLO1SMN1; SMN2
SCHEMBL492321 0.80 TSHR (0.68) MEN1KMT2AALDH1A1SMN1; SMN2CCR2
SCHEMBL6796795 0.80 PDE10A (0.45) MEN1KMT2AALDH1A1TDP1GLO1
SCHEMBL6796785 0.80 PDE10A (0.45) MEN1KMT2AALDH1A1TDP1GLO1
SCHEMBL7348029 0.80 MEN1 (0.70) MEN1KMT2AALDH1A1TDP1POLB
SCHEMBL23413185 0.80 MEN1 (0.67) MEN1KMT2ATDP1GLO1POLB
SCHEMBL30092884 0.80 MEN1 (0.67) MEN1KMT2ATDP1GLO1POLB
SCHEMBL6799603 0.79 CAPN1 (0.56) MEN1KMT2AALDH1A1TDP1GLO1
SCHEMBL6799602 0.79 CAPN1 (0.56) MEN1KMT2AALDH1A1TDP1GLO1

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 5 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-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
EP-1073638-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-02-07 EP disclosed
WO-1999054304-A1 HETEROCYCLICALLY SUBSTITUTED AMIDES, THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-10-28 WO 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 MEN1 4075/4885KMT2A 4109/4885ALDH1A1 3161/4885

“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.