SCHEMBL6553403

SCHEMBL6553403

Cc1cc(O)cc(OCc2ccccc2Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
MAOA P21397 1/20 0.52
NR4A2 P43354 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 3/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SLC26A4 O43511 1/20 0.46
PIK3CD O00329 1/20 0.44
IDO1 P14902 2/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
HTT P42858 1/20 0.43
RAD52 P43351 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
THRB P10828 1/20 0.43
F2 P00734 1/20 0.42

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
SCHEMBL30858768 0.94 MAOB (0.48) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL29261483 0.94 MAOB (0.48) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13678515 0.84 MAOB (0.53) MAOBKMT2ASLC26A4PIK3CDFFAR1
SCHEMBL13678502 0.81 MAOB (0.53) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL257758 0.81 NR4A2 (0.60) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL13483791 0.78 MAOB (0.64) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL5674221 0.78 F2 (0.58) MAOBMAOAIDO1FFAR1FFAR4
SCHEMBL21944816 0.78 NR4A2 (0.47) MAOBMAOANR4A2NPC1RAB9A
SCHEMBL30994413 0.77 CYP1A2 (0.58) MAOBNR4A2MEN1KMT2A
SCHEMBL4516341 0.77 CYP1A2 (0.58) MAOBNR4A2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883405-B1 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-02-25 EP disclosed
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
US-6414020-B2 ANTIPROTEOLYTIC AMIDINO OR DERIVATIVE USEFUL FOR TREATING PENCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION 3- DIMENSIONAL PHARMACEUTICALS, INC. 2002-07-02 US disclosed
US-20010025041-A1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-27 US disclosed
US-6281206-B1 AMIDINO AND BENZAMIDINO COMPOUNDS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-08-28 US disclosed
US-6225302-B1 Amidino protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-01 US disclosed
US-6133315-A ADMINISTERING TO TREAT PANCREATITIS, THROMBOSIS, ISCHEMIA, STROKE, RESTENOSIS, EMPHYSEMA OR INFLAMMATION IN A MAMMAL; COMPOUNDS SUCH AS 2-CHLOROBENZENESULFONIC ACID 3-(3-AMIDINOPROPOXY)-5-METHYLPHENYL ESTER HYDROCHLORIDE 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-10-17 US disclosed
US-6034127-A CARDIOVASCULAR DISORDERS; RESPIRATORY SYSTEM DISORDERS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-03-07 US disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0883405-A4 AMIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-04-28 EP disclosed
EP-0883405-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-12-16 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
WO-1997024135-A1 AMIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-07-10 WO disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO 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-20010025041-A1 Amidino protease inhibitors CTRL, PEPD, PRSS3 MAOB 1421/4885MAOA 1374/4885NR4A2 4124/4885

“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.