SCHEMBL23364685

SCHEMBL23364685

CC(C)(C)CCOc1cccc(Br)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.63
MCHR1 Q99705 2/20 0.44
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
DYRK2 Q92630 1/20 0.39
IDO1 P14902 1/20 0.36
NUDT1 P36639 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
NFKB1 P19838 2/20 0.32
NFKB2 Q00653 2/20 0.32
RELA Q04206 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
PDE2A O00408 1/20 0.32
MAPK8 P45983 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30
EDNRB P24530 1/20 0.30

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
SCHEMBL29932740 1.00 HTR7 (0.63) HTR7MCHR1CDK9DYRK1ADYRK2
SCHEMBL6959042 0.83 HTR7 (0.59) HTR7MCHR1CDK9DYRK1ADYRK2
SCHEMBL6743 0.81 HTR7 (0.67) HTR7MCHR1CDK9DYRK1ADYRK2
SCHEMBL23380065 0.81 MCHR1 (0.43) HTR7MCHR1IDO1NUDT1NFKB1
SCHEMBL25028948 0.80 HTR7 (0.65) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL7285 0.80 HTR7 (0.65) HTR7MCHR1CDK9DYRK1ADYRK2
SCHEMBL23355733 0.79 HTR7 (0.55) HTR7CDK9DYRK1ADYRK2NUDT1
SCHEMBL16637887 0.79 HTR7 (0.63) HTR7CDK9DYRK1ADYRK2CHRNB2
SCHEMBL1810138 0.78 HTR7 (0.62) HTR7CDK9DYRK1ADYRK2IDO1
SCHEMBL30438014 0.78 HTR7 (0.62) HTR7CDK9DYRK1ADYRK2IDO1

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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION 2024-01-04 US disclosed
CN-115003659-A 5-membered heteroaryl amino sulfonamides for the treatment of conditions mediated by a deficiency in CFTR activity 健赞公司 2022-09-02 CN disclosed
WO-2021097057-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY GENZYME CORPORATION (US) 2021-05-20 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-20240002374-A1 5-MEMBERED HETEROARYLAMINOSULFONAMIDES FOR TREATING CONDITIONS MEDIATED BY DEFICIENT CFTR ACTIVITY CFTR, PKD2, PKD1 HTR7 1997/4885MCHR1 4630/4885CDK9 3054/4885

“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.