SCHEMBL678664

SCHEMBL678664

O=C(O)c1cccc(NC(=O)c2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
NPC1 O15118 2/20 0.75
RAB9A P51151 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
NR1H4 Q96RI1 6/20 0.72
PARP1 P09874 1/20 0.68
KMO O15229 1/20 0.66
PKM P14618 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
F2R P25116 1/20 0.64
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
POLB P06746 1/20 0.63
HPSE Q9Y251 1/20 0.63
FABP1 P07148 1/20 0.63
ALDH1A1 P00352 1/20 0.62
MIF P14174 1/20 0.62

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
SCHEMBL18152289 0.92 MEN1 (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14075235 0.90 PARP1 (0.78) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2025738 0.90 NR1H4 (0.72) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6451496 0.89 KMT2A (0.73) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5943892 0.89 MEN1 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL13601057 0.88 HDAC8 (0.71) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL679144 0.88 KMT2A (0.90) MEN1KMT2ANPC1RAB9ANR1H4
SCHEMBL13381198 0.88 L3MBTL1 (0.82) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20227586 0.86 KCNK3 (0.79) MEN1KMT2ANPC1RAB9APARP1
Hydrochloric Acid SCHEMBL2106175 0.86 KMT2A (0.87) MEN1KMT2ANPC1RAB9ANR1H4

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 10 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
EP-2166841-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE Mission Pharmacal Company (US) 2010-03-31 EP 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 MEN1 3097/4885KMT2A 4847/4885NPC1 2304/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MEN1 3097/4885KMT2A 4847/4885NPC1 2304/4885

“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.