SCHEMBL678702

SCHEMBL678702

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

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.66
RAB9A P51151 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
TP53 P04637 1/20 0.56
NPC1 O15118 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
HTT P42858 1/20 0.51
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
POLB P06746 2/20 0.50
PKM P14618 2/20 0.50
GPR17 Q13304 1/20 0.50
PLAU P00749 2/20 0.49
CREBBP Q92793 1/20 0.49
ABL1 P00519 1/20 0.49
RIN1 Q13671 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
SCHEMBL678733 0.86 GRM5 (0.70) GRM5RAB9ASMN1; SMN2NPC1MEN1
SCHEMBL1499498 0.80 GRM5 (1.00) GRM5RAB9ASMN1; SMN2TP53NPC1
SCHEMBL30136593 0.78 KEAP1 (0.64) GRM5RAB9A
SCHEMBL761721 0.78 KEAP1 (0.64) GRM5RAB9A
Hydrochloric Acid SCHEMBL28859534 0.77 KEAP1 (0.62) GRM5RAB9A
SCHEMBL16339265 0.77 GRM5 (0.64) GRM5RAB9ASMN1; SMN2TP53NPC1
SCHEMBL3592038 0.77 RAB9A (0.78) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL1818135 0.76 ALDH1A1 (0.80) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL1813249 0.76 RAB9A (0.81) RAB9ASMN1; SMN2TP53NPC1MEN1
SCHEMBL6242208 0.75 RAB9A (0.84) RAB9ASMN1; SMN2TP53NPC1MEN1

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 3638/4885RAB9A 1654/4885SMN1; SMN2 4854/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 GRM5 3638/4885RAB9A 1654/4885SMN1; SMN2 4854/4885

“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.