SCHEMBL686488

SCHEMBL686488

O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.60
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 1/20 0.60
POLB P06746 4/20 0.58
MAPT P10636 4/20 0.58
TNF P01375 2/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 2/20 0.58
NOD1 Q9Y239 2/20 0.58
HTT P42858 2/20 0.58
POLA1 P09884 1/20 0.58
THRB P10828 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
P2RX1 P51575 1/20 0.57
BLM P54132 1/20 0.56
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 1/20 0.55
DDX3X O00571 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55

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
SCHEMBL13925814 0.88 MEN1 (0.60) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL678874 0.88 MAPT (0.60) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL678581 0.81 MAPT (0.65) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL15740330 0.79 MEN1 (0.68) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL2700423 0.79 MEN1 (0.74) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL12356085 0.79 ALDH1A1 (0.59) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL678655 0.79 ALDH1A1 (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL874268 0.78 KMT2A (0.67) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL14018746 0.78 MEN1 (0.67) MEN1KMT2AALDH1A1POLBMAPT
SCHEMBL12225779 0.78 MEN1 (0.70) MEN1KMT2AALDH1A1POLBMAPT

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 5 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-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

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 4847/4885ALDH1A1 3208/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MEN1 3097/4885KMT2A 4847/4885ALDH1A1 3208/4885

“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.