SCHEMBL5115000

SCHEMBL5115000

CN(Cc1ccc(C2=NCCN2C(=O)O)cc1)C(=O)CCCCN(C)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
ACHE P22303 4/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 1/20 0.38
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
KDM4A O75164 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL5111903 0.89 CHRNB2 (0.42) NPC1RAB9AKMT2ATHRB
SCHEMBL5393153 0.85 LTB4R (0.42) KMT2ATHRB
SCHEMBL5110896 0.79 RAB9A (0.39) NPC1RAB9AKMT2A
SCHEMBL12162029 0.78 GPR119 (0.39) KMT2ATHRB
SCHEMBL5126485 0.78 BDKRB1 (0.49) BCHEACHENPC1RAB9A
SCHEMBL5114361 0.77 BDKRB1 (0.50) BCHEACHENPC1RAB9A
SCHEMBL5110784 0.76 BDKRB1 (0.43) BCHEACHENPC1RAB9A
SCHEMBL5118363 0.76 BDKRB1 (0.52) BCHEACHENPC1RAB9A
SCHEMBL5388716 0.76 KMT2A (0.43) BCHEACHENPC1RAB9AKMT2A
SCHEMBL5115076 0.75 BDKRB1 (0.42) KMT2A

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 4 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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 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 BCHE 3422/4885ACHE 4862/4885NPC1 336/4885

“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.