SCHEMBL6571993

SCHEMBL6571993

N#CCSc1ccc(CC#N)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.38
MAOA P21397 7/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.33
TNF P01375 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.32
PIK3CD O00329 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32

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
SCHEMBL25080825 0.81 DAO (0.39) MAOBMAOAKMT2ALMNAMAPT
SCHEMBL943163 0.79 KMT2A (0.39) MAOBMAOAKMT2AKDM4ETDP1
SCHEMBL2154504 0.78 KMT2A (0.47) KMT2AKDM4ETDP1L3MBTL1GAA
SCHEMBL3272193 0.76 SLC6A4 (0.47) MAOAKMT2AMAPT
SCHEMBL5178452 0.76 NR1H2 (0.44) KMT2AKDM4ELMNAMAPTMTOR
SCHEMBL7952409 0.76 MAOA (0.52) MAOBMAOAKMT2AKDM4EGAA
SCHEMBL10395941 0.76 HPGD (0.47) KMT2AKDM4ETDP1L3MBTL1GAA
SCHEMBL7879574 0.76 MAOA (0.52) MAOBMAOAKMT2AKDM4EL3MBTL1
SCHEMBL13791015 0.76 MAOB (0.55) MAOBMAOA
SCHEMBL1931888 0.75 ALDH1A1 (0.52) MAOBMAOAKMT2AKDM4ETDP1

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-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 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-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 MAOB 1440/4885MAOA 1391/4885KMT2A 1168/4885

“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.