SCHEMBL677656

SCHEMBL677656

O=C(O)c1cccc(NC(=O)c2cccc3c2[nH]c2ccccc23)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NHERF1 O14745 2/20 0.52
EP300 Q09472 1/20 0.52
CREBBP Q92793 1/20 0.52
PARP14 Q460N5 1/20 0.51
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
PBRM1 Q86U86 1/20 0.49
ALDH1A1 P00352 1/20 0.48
NR1H4 Q96RI1 2/20 0.48
HPSE Q9Y251 1/20 0.48
GFER P55789 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL28581676 0.80 NHERF1 (0.74) KMT2AMEN1NHERF1EP300CREBBP
SCHEMBL7787096 0.79 MEN1 (0.64) KMT2AMEN1EP300CREBBPNPC1
SCHEMBL2058337 0.78 ALDH1A1 (0.71) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL6833155 0.78 CNR1 (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL6809571 0.78 KMT2A (0.49) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL148468 0.78 ALDH1A1 (0.58) KMT2AMEN1PARP14NPC1RAB9A
SCHEMBL28420559 0.77 KMT2A (0.63) KMT2AMEN1NHERF1EP300CREBBP
SCHEMBL30455267 0.76 PBRM1 (0.78) PARP14HTTPBRM1GFERKDM4E
SCHEMBL143999 0.76 PBRM1 (0.78) PARP14HTTPBRM1GFERKDM4E
SCHEMBL29844370 0.76 PBRM1 (0.78) PARP14HTTPBRM1GFERKDM4E

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 9 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-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
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 KMT2A 4847/4885MEN1 3097/4885NHERF1 80/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 KMT2A 4847/4885MEN1 3097/4885NHERF1 80/4885

“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.