SCHEMBL5564639

SCHEMBL5564639

COc1cc(OC)c(C=O)cc1C#Cc1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 1/20 0.49
NPC1 O15118 2/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADRA2B P18089 1/20 0.40
PTGS1 P23219 1/20 0.40
LMNA P02545 2/20 0.38

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
SCHEMBL5565140 0.77 KMT2A (0.43) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL29984649 0.76 ALDH1A1 (0.61) ALDH1A1KDM4ETDP1TSHRNPC1
SCHEMBL5565297 0.75 ALDH1A1 (0.41) ALDH1A1KDM4ETDP1TSHRNPC1
SCHEMBL28091297 0.74 ALDH1A1 (0.57) ALDH1A1KDM4ETDP1TSHRNPC1
SCHEMBL5560903 0.74 KDM4E (0.44) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL5565287 0.73 ABCG2 (0.51) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL18227235 0.73 ALDH1A1 (0.50) ALDH1A1KDM4ETDP1TSHRNPC1
SCHEMBL29198848 0.72 ALDH1A1 (0.62) ALDH1A1KDM4ETDP1TSHRHPGD
SCHEMBL18227211 0.71 ALDH1A1 (0.52) ALDH1A1KDM4ETDP1TSHRNPC1
SCHEMBL20135971 0.70 ALDH1A1 (0.65) ALDH1A1KDM4ETDP1TSHRNPC1

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 4 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-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 ALDH1A1 1653/4885KDM4E 2383/4885TDP1 4624/4885
US-20070093453-A1 Sulfonamide-substituted chalcone derivatives and their use to treat diseases STS, HPSE, SULT1E1 ALDH1A1 1653/4885KDM4E 2383/4885TDP1 4624/4885

“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.