SCHEMBL5125909

SCHEMBL5125909

CN(Cc1ccc(C2=NCCN2)cc1Cl)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.51
BDKRB1 P46663 6/20 0.46
UBE2N P61088 2/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 2/20 0.44
PAX8 Q06710 1/20 0.44
RECQL P46063 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5124120 0.85 NISCH (0.54) NISCHBDKRB1UBE2NLMNAPAX8
SCHEMBL1936162 0.80 NISCH (0.60) NISCHBDKRB1
SCHEMBL5125919 0.78 NISCH (0.51) NISCHUBE2NPOLBKMT2AALDH1A1
SCHEMBL6206505 0.76 NISCH (0.57) NISCHLMNARECQL
SCHEMBL5110409 0.75 F10 (0.39)
SCHEMBL1935706 0.73 NISCH (0.55) NISCHBDKRB1
SCHEMBL31107315 0.72 PYCR1 (0.51) KMT2AALDH1A1
SCHEMBL3260321 0.72 NISCH (0.61) NISCHBDKRB1
SCHEMBL28546904 0.70 EPHX2 (0.44) KMT2AALDH1A1RECQL
SCHEMBL5110282 0.70 HTT (0.50) POLBALDH1A1LMNA

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 NISCH 2280/4885BDKRB1 1217/4885UBE2N 1874/4885

“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.