SCHEMBL677770

SCHEMBL677770

COC(=O)c1cccc(NC(=O)c2ccccc2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 1.00
SMN1; SMN2 Q16637 4/20 0.75
NPC1 O15118 4/20 0.75
HTT P42858 2/20 0.75
MAPT P10636 2/20 0.75
TP53 P04637 1/20 0.73
KCNK9 Q9NPC2 3/20 0.71
KCNK3 O14649 2/20 0.71
NLRP3 Q96P20 1/20 0.69
GPR17 Q13304 1/20 0.68
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ABL1 P00519 1/20 0.66
RIN1 Q13671 1/20 0.66
ALDH1A1 P00352 2/20 0.65
PTPN1 P18031 1/20 0.65
HPGD P15428 1/20 0.63

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
SCHEMBL25138816 0.95 RAB9A (0.91) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL677703 0.93 RAB9A (0.86) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL6242208 0.92 RAB9A (0.84) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL23070479 0.89 RAB9A (0.80) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL25262559 0.88 RAB9A (0.79) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1815384 0.88 RAB9A (0.80) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL1815533 0.88 RAB9A (0.78) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL11710023 0.86 RAB9A (0.76) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL16681258 0.86 RAB9A (0.75) RAB9ASMN1; SMN2NPC1HTTMAPT
SCHEMBL14096335 0.85 RAB9A (0.77) RAB9ASMN1; SMN2NPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104739820-A Small molecule inhibitor and application thereof to inhibiting ornithine decarboxylase (ODC) UNIV CHINA THREE GORGES CTGU 2015-07-01 CN disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-7951830-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2011-05-31 US disclosed
EP-2292587-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY Fundacion De La Comunidad Valenciana Centro De Investigacion Principe Felipe (ES) 2011-03-09 EP disclosed
EP-2292587-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING THE TRANSCRIPTION FACTOR INDUCIBLE BY HYPOXIA, MODULATORS OF PATHOLOGICAL PROCESSES OF ANGIOGENESIS, ONCOGENESIS, INFLAMMATION, APOPTOSIS, AND CELLULAR THERAPY Fundacion De La Comunidad Valenciana Centro De Investigacion Principe Felipe (ES) 2011-03-09 EP disclosed
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP disclosed
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-7524957-B2 Compounds effecting glucokinase ASTRAZENECA AB (SE) 2009-04-28 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 WO disclosed
US-20080207636-A1 Compounds Effecting Glucokinase ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-7390908-B2 Such as 2-[3,5-Di(2-chlorobenzyloxy)benzoyl)amino]-thiazole; for treatment of diabetes ASTRAZENECA AB (SE) 2008-06-24 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 (4 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 RAB9A 1654/4885SMN1; SMN2 4854/4885NPC1 2304/4885
US-20080207636-A1 Compounds Effecting Glucokinase GCKR, GCK, SLC5A2 RAB9A 3175/4885SMN1; SMN2 1886/4885NPC1 1139/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 RAB9A 1654/4885SMN1; SMN2 4854/4885NPC1 2304/4885
US-20090227592-A1 COMPOUNDS EFFECTING GLUCOKINASE GCKR, GCK, SLC5A2 RAB9A 3175/4885SMN1; SMN2 1886/4885NPC1 1139/4885

“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.