SCHEMBL5543437

SCHEMBL5543437

O=Cc1cccc(OCCOc2cccc(C=O)c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.66
MAOB P27338 7/20 0.66
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
TDP1 Q9NUW8 2/20 0.58
SRC P12931 1/20 0.55
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TLR4 O00206 1/20 0.47
TLR2 O60603 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46

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
SCHEMBL15426822 0.94 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL22181586 0.94 MAOA (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL9059700 0.94 MAOA (0.70) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30724528 0.94 MAOA (0.64) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8716037 0.92 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374655 0.92 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL8374654 0.92 MAOA (0.62) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL30855377 0.91 NPC1 (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL1279355 0.91 NPC1 (0.59) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL3575088 0.89 MAOA (0.58) MAOAMAOBNPC1RAB9ATDP1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309253-B1 METHODS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE CERAMI CONSULTING CORP (US) 2007-05-23 EP claimed
US-6615842-B1 Methods for removing nucleophilic toxins from tobacco smoke CERAMI CONSULTING CORP. 2003-09-09 US claimed
EP-1309253-A1 METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE Cerami Consulting Corporation (US) 2003-05-14 EP claimed
WO-2002000046-A1 METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE CERAMI CONSULTING CORP. (US) 2002-01-03 WO claimed
US-9550845-B2 Multiple stage curable polymer with controlled transitions THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-01-24 US disclosed
US-20160264695-A1 MULTIPLE STAGE CURABLE POLYMER WITH CONTROLLED TRANSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-09-15 US disclosed
EP-1309253-B1 METHODS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE CERAMI CONSULTING CORP (US) 2007-05-23 EP disclosed
EP-1160240-B1 Guanylhydrazones for treating inflammatory conditions CYTOKINE PHARMASCIENCES INC (US) 2006-11-22 EP disclosed
US-6615842-B1 Methods for removing nucleophilic toxins from tobacco smoke CERAMI CONSULTING CORP. 2003-09-09 US disclosed
EP-1309253-A1 METHODS, AGENTS AND DEVICES FOR REMOVING NUCLEOPHILIC TOXINS FROM TOBACCO AND TOBACCO SMOKE Cerami Consulting Corporation (US) 2003-05-14 EP disclosed
EP-0746312-B1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS PICOWER INST MED RES (US) 2002-09-25 EP disclosed
US-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor BIANCHI MARINA (IT) 2002-03-07 US disclosed
US-5859062-A ADMINISTERING TO TREAT INFLAMMATORY DISEASES MEDIATED BY TUMOR NECROSIS FACTOR THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1999-01-12 US disclosed
US-5854289-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-29 US disclosed
US-5849794-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-12-15 US disclosed
US-5753684-A Guanylhydrazones and their use to treat inflammatory conditions THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-19 US disclosed
US-5750573-A PREVENTING AND TREATING CACHEXIA, THE CLINICAL SYNDROME OF POOR NUTRITION AND BODILY WASTING ASSOCIATED WITH CANCER AND CHRONIC DISEASES; ARGINASE INHIBITORS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1998-05-12 US disclosed
US-5599984-A AROMATIC AMIDINOHYDRAZONES AS INHIBITORS FOR THE UPTAKE OF ARGININE BY MACROPHAGES AND/OR ITS CONVERSION TO UREA; PREVENTION OF NITRIC OXIDE GENERATION; CACHEXIA; METABOLIC SYNDROMES THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1997-02-04 US disclosed
EP-0746312-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1996-12-11 EP disclosed
WO-1995019767-A1 GUANYLHYDRAZONES FOR TREATING INFLAMMATORY CONDITIONS THE PICOWER INSTITUTE FOR MEDICAL RESEARCH (US) 1995-07-27 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-20020028851-A1 Aromatic guanylhydrazones (amidinohydrazones) used to prevent and ameliorating cachexia; to inhibit the uptake of arginine by macrophages and/or its conversion to urea; to prevent the generation of nitric oxide (NO) and tumor necrosis factor ARG1, ARG2, NOS3 MAOA 2553/4885MAOB 2301/4885NPC1 3888/4885

“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.