SCHEMBL6176312

SCHEMBL6176312

CC(O)c1cncc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.42
ADRA2B P18089 5/20 0.42
ADRA2C P18825 5/20 0.42
ADRA1A P35348 5/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1B P35368 3/20 0.42
PRKCZ Q05513 1/20 0.40
LMNA P02545 1/20 0.38
CYP11B2 P19099 3/20 0.38
CYP11B1 P15538 2/20 0.38
UGT2B7 P16662 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2B6 P20813 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPKAPK2 P49137 1/20 0.36

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
SCHEMBL29947549 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL2607435 0.84 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL29875062 0.84 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL28005982 0.81 CYP1A2 (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL30238657 0.81 PRKCZ (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL13509959 0.81 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL28454494 0.81 PRKCZ (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL20824746 0.81 PRKCZ (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL31370410 0.79 AKR1B1 (0.43) ADRA2AADRA2BADRA2CADRA1AADRA1D
SCHEMBL18400234 0.78 TSHR (0.44) ADRA2AADRA2BADRA2CADRA1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120439-A FGFR3 inhibitor compounds 伊莱利利公司 2023-11-24 CN disclosed
CN-102245593-A Isoquinolinone derivatives ASTRAZENECA AB 2011-11-16 CN disclosed
EP-1392280-A4 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF WARNER LAMBERT CO (US) 2005-11-30 EP disclosed
US-6875765-B2 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY (US) 2005-04-05 US disclosed
EP-1392280-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF Abbott GmbH & Co. KG (DE) 2004-03-03 EP disclosed
US-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof WARNER-LAMBERT COMPANY 2003-05-22 US disclosed
WO-2002089749-A2 ARYLSULFONAMIDE ETHERS, AND METHODS OF USE THEREOF ABBOTT GMBH & CO.KG (DE) 2002-11-14 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-20030096826-A1 Arylsulfonamide ethers, and methods of use thereof CASP1, IRAK1, STS ADRA2A 3503/4885ADRA2B 3361/4885ADRA2C 3463/4885

“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.