SCHEMBL5118958

SCHEMBL5118958

CNCc1ccc(C2=NCCN2C(=O)O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PARP1 P09874 2/20 0.37
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 2/20 0.35
PKM P14618 1/20 0.35
GFER P55789 1/20 0.35
POLB P06746 1/20 0.34
F10 P00742 2/20 0.34
BDKRB1 P46663 5/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33

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
SCHEMBL23880709 0.73 PTGER1 (0.37) THRB
SCHEMBL23235870 0.72 PTGER1 (0.44)
SCHEMBL23235785 0.71 FFAR1 (0.40) THRB
SCHEMBL8936614 0.68 MEN1 (0.58) THRBMEN1KMT2APOLB
SCHEMBL30740899 0.67 SLC6A4 (0.52) HTR2CHTR2BBDKRB1
SCHEMBL6253725 0.67 NISCH (0.61)
SCHEMBL4028424 0.66 PTGS2 (0.38) PTGS2F10
SCHEMBL14409245 0.66 KIF11 (0.46) HTR2CHTR2BMEN1KMT2A
SCHEMBL5110896 0.65 RAB9A (0.39) MEN1KMT2APOLBBDKRB1
SCHEMBL24791640 0.64 BDKRB1 (0.40) PARP1BDKRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents LABORATOIRES FOURNIER SA (FR) 2006-04-20 US 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-20060084699-A1 Novel arylsulphonamide derivatives and use thereof as therapeutic agents UGT1A1, UGT2B7, UGT1A6 HTR2C 1995/4885HTR2B 1301/4885PARP1 2138/4885

“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.