SCHEMBL678874

SCHEMBL678874

O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ALDH1A1 P00352 1/20 0.56
HTT P42858 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
PSMB5 P28074 1/20 0.55
MEN1 O00255 2/20 0.55
POLB P06746 2/20 0.55
KMT2A Q03164 2/20 0.55
MITF O75030 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
SCHEMBL686488 0.88 MEN1 (0.60) MAPTNPC1RAB9AALDH1A1HTT
SCHEMBL678581 0.83 MAPT (0.65) MAPTALDH1A1HTTMEN1POLB
SCHEMBL4586417 0.80 KCNMA1 (0.61) MAPTALDH1A1HTTMEN1POLB
SCHEMBL31155757 0.79 CHRNB2 (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2702303 0.76 NPC1 (0.71) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7821134 0.76 MAPT (0.71) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25063320 0.75 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30981025 0.75 NPC1 (1.00) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7283173 0.75 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL30338901 0.75 MAPT (0.69) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 3 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-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 MAPT 4872/4885SMN1; SMN2 4854/4885NPC1 2304/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MAPT 4872/4885SMN1; SMN2 4854/4885NPC1 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.