SCHEMBL1134868

SCHEMBL1134868

CNS(=O)(=O)NCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.76
CA12 O43570 4/20 0.76
CA7 P43166 3/20 0.76
CA14 Q9ULX7 3/20 0.76
CA1 P00915 4/20 0.66
HTT P42858 1/20 0.61
KEAP1 Q14145 1/20 0.57
KMT2A Q03164 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP1A2 P05177 1/20 0.53
ATM Q13315 1/20 0.53
CA9 Q16790 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 3/20 0.49

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
Benzyl(Benzylsulfamoyl)Amine SCHEMBL2298224 0.87 CA12 (1.00) CA2CA12CA7CA14CA1
SCHEMBL11408585 0.79 CA2 (0.76) CA2CA12CA7CA14CA1
SCHEMBL1134855 0.79 CA12 (0.68) CA2CA12CA7CA14CA1
SCHEMBL19785139 0.79 CA12 (0.74) CA2CA12CA7CA14CA1
SCHEMBL423037 0.78 CA2 (0.68) CA2CA12CA7CA14CA1
SCHEMBL23732923 0.78 CYP19A1 (0.51) CA2CA12CA7CA14CA1
SCHEMBL4497321 0.78 CA2 (0.73) CA2CA12CA7CA14CA1
SCHEMBL12793673 0.77 KEAP1 (0.76) CA2CA12CA7CA14CA1
Hydrochloric Acid SCHEMBL3516886 0.77 CA2 (0.65) CA2CA12CA7CA14CA1
SCHEMBL2112943 0.77 CA2 (0.65) CA2CA12CA7CA14CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263597-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-11 US disclosed
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-8008327-B2 Indazole compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-30 US disclosed
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
US-7902203-B2 Anti-infective agents ABBOTT LABORATORIES, INC. (US) 2011-03-08 US disclosed
EP-2285783-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2011-02-23 EP disclosed
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-10 US disclosed
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2009134666-A1 INDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-11-05 WO disclosed
US-7538105-B2 Anti-infective agents ABBOTT LABORATORIES (US) 2009-05-26 US disclosed
US-20080193413-A1 Anti-Infective Agents ABBOTT LABORATORIES (US) 2008-08-14 US disclosed
US-7378414-B2 Viricides for infections caused by an RNA-containing virus; enzyme inhibitors for a hepatitis C virus (HCV) polymerase; inhibiting HCV viral replication; liver cirrhosis; e. g., 3-(1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)-4-hydroxy-1,1-dipropyl-2(1H)-naphthalenone ABBOTT LABORATORIES (US) 2008-05-27 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 (3 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-20080193413-A1 Anti-Infective Agents POLI, RPL5, POLRMT CA2 4344/4885CA12 4044/4885CA7 3092/4885
US-20110294808-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 CA2 2798/4885CA12 4158/4885CA7 2216/4885
US-20110034512-A1 Indazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCRL2 CA2 2798/4885CA12 4158/4885CA7 2216/4885

“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.