SCHEMBL5565140

SCHEMBL5565140

COc1cc(OC)c(C=O)cc1C#Cc1ccccc1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
MCL1 Q07820 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTK2 Q05397 2/20 0.37

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
SCHEMBL5560903 0.87 KDM4E (0.44) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL14524528 0.81 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL14547415 0.79 KMT2A (0.49) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL18227245 0.77 ALDH1A1 (0.42) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL5564639 0.77 ALDH1A1 (0.49) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL18227213 0.74 ALDH1A1 (0.40) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL29053454 0.73 ALDH1A1 (0.53) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL30494430 0.73 ALDH1A1 (0.53) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL29053442 0.71 ALDH1A1 (0.51) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL29053449 0.71 SLC16A3 (0.57) KMT2AMEN1TSHRALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHEROGENICS, INC. (US) 2007-04-26 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-7173129-B2 Sulfonamide-substituted chalcone derivatives and their use to treat diseases ATHERO GENICS, INC. (US) 2007-02-06 US disclosed
US-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases CRABTREE ACQUISITION CO, LLC 2005-03-03 US disclosed
WO-2004108094-A2 SULFONAMIDE-SUBSTITUTED CHALCONE DERIVATIVES AND THEIR USE TO TREAT DISEASES ATHEROGENICS, INC. (US) 2004-12-16 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 (2 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-20050049236-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 KMT2A 3609/4885MEN1 2929/4885TSHR 2685/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 KMT2A 3609/4885MEN1 2929/4885TSHR 2685/4885

“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.