SCHEMBL679470

SCHEMBL679470

CN(C)c1cccc(NC(=O)c2cccc3c2C(=O)c2ccccc2-3)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL13925975 0.88 MEN1 (0.62) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL678581 0.82 MAPT (0.65) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL12356085 0.82 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL678307 0.80 MEN1 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL678523 0.80 MAPT (0.60) MEN1KMT2AMAPT
SCHEMBL678655 0.80 ALDH1A1 (0.57) MEN1KMT2AMAPTALDH1A1
SCHEMBL678898 0.79 RAB9A (0.61) ALDH1A1
SCHEMBL679538 0.79 HDAC1 (0.54) MAPTALDH1A1HTT
SCHEMBL677448 0.79 F3 (0.53) MAPTALDH1A1HTT
SCHEMBL11430463 0.78 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1L3MBTL1

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 4847/4885MAPT 4872/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 MEN1 3097/4885KMT2A 4847/4885MAPT 4872/4885

“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.