SCHEMBL678733

SCHEMBL678733

O=C(O)c1cccc(NC(=O)c2cccc3cc[nH]c23)c1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.70
KEAP1 Q14145 1/20 0.57
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HTT P42858 1/20 0.51
NHERF1 O14745 1/20 0.51
NR1H4 Q96RI1 2/20 0.50
HPSE Q9Y251 1/20 0.50
CA12 O43570 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
PDPK1 O15530 1/20 0.49
MAPT P10636 1/20 0.48
AURKA O14965 1/20 0.48

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
SCHEMBL678702 0.86 GRM5 (0.66) GRM5MEN1KMT2ANPC1RAB9A
SCHEMBL1499498 0.83 GRM5 (1.00) GRM5KEAP1MEN1KMT2ANPC1
SCHEMBL7787096 0.78 MEN1 (0.64) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2058337 0.77 ALDH1A1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL16339265 0.77 GRM5 (0.64) GRM5KEAP1MEN1KMT2ANPC1
SCHEMBL23070511 0.76 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9164792 0.75 MEN1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL9161426 0.75 MEN1 (0.66) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14855644 0.75 MEN1 (0.70) MEN1KMT2ASMN1; SMN2NR1H4HPSE
SCHEMBL336234 0.75 KEAP1 (1.00) GRM5KEAP1MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 GRM5 3638/4885KEAP1 2277/4885MEN1 3097/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 GRM5 3638/4885KEAP1 2277/4885MEN1 3097/4885

“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.