SCHEMBL5110293

SCHEMBL5110293

CN(Cc1ccc(C2=NCCN2C)cc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
KCNH2 Q12809 2/20 0.40
F10 P00742 4/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1936156 0.88 MCHR1 (0.40) HRH3F10MAPTSMN1; SMN2
SCHEMBL5114453 0.82 HRH3 (0.49) HRH3KCNH2NPC1RAB9ACA12
Trifluoroacetamide SCHEMBL1935445 0.80 MLYCD (0.37) F10
SCHEMBL14085132 0.78 TOP2A (0.44) F10
Hydrochloric Acid SCHEMBL6864931 0.76 F10 (0.45) F10
SCHEMBL11686462 0.74 HRH3 (0.46) HRH3F10MAPTSMN1; SMN2
SCHEMBL2237450 0.74 MCHR1 (0.36) HRH3F10
SCHEMBL4034393 0.73 NCF1 (0.44) F10MAPT
SCHEMBL122260 0.72 ADORA3 (0.46)
SCHEMBL2239180 0.71 TAAR1 (0.42) MAPTSMN1; SMN2

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 HRH3 1614/4885KCNH2 4507/4885F10 4554/4885

“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.