SCHEMBL6803017

SCHEMBL6803017

N#CC(C(N)=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
PARP10 Q53GL7 1/20 0.56
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 2/20 0.53
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
FFAR1 O14842 2/20 0.51
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 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
SCHEMBL30771219 0.84 LTA4H (0.54) ALOX5NPC1RAB9AMAOBNR4A1
SCHEMBL6629953 0.83 LMNA (0.61) ALOX5GAAMAOBNR4A1NR4A2
SCHEMBL3591959 0.82 NPC1 (0.53) ALOX5NPC1RAB9AMAOBNR4A1
SCHEMBL28115187 0.78 PARP10 (0.60) ALOX5PARP10GAAMAPTRAB9A
SCHEMBL2170633 0.78 ALOX5 (0.67) ALOX5PARP10NPC1RAB9AMAOB
SCHEMBL2927032 0.78 TSHR (0.48) ALOX5LMNACYP1A2CYP2C19HDAC6
SCHEMBL2771881 0.78 TSHR (0.48) ALOX5LMNACYP1A2CYP2C19HDAC6
SCHEMBL11452486 0.78 MAOB (0.60) ALOX5PARP10KDM4ENPC1GAA
SCHEMBL17465915 0.77 MAOB (0.64) ALOX5GAAMAPTRAB9AMAOB
SCHEMBL10999770 0.77 NR4A1 (0.62) ALOX5PARP10MAOBNR4A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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 (2 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALOX5 2289/4885PARP10 2071/4885KDM4E 4231/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALOX5 2289/4885PARP10 2071/4885KDM4E 4231/4885

“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.