SCHEMBL1669636

SCHEMBL1669636

CC(C)(O)CCNC(=O)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
CYP3A4 P08684 2/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL1668369 0.84 ALDH1A1 (0.46) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL1668197 0.82 POLB (0.53) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL10155412 0.82 ALDH1A1 (0.41) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL6888042 0.81 ALDH1A1 (0.48) MAPTALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL1669267 0.81 MAPT (0.52) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL1668020 0.81 MAPT (0.48) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL2458822 0.80 ALDH1A1 (0.43) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL2465103 0.79 ALDH1A1 (0.42) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL1668382 0.78 POLB (0.61) MAPTHTTALDH1A1SMN1; SMN2LMNA
SCHEMBL15631010 0.78 TDP1 (0.46) MAPTHTTALDH1A1SMN1; SMN2LMNA

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
EP-2488520-B1 CONDENSED AZINE-DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MERCK SHARP & DOHME (NL) 2015-09-02 EP disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
US-8841289-B2 Heterocyclic derivatives MERCK SHARP & DOHME B.V. (US) 2014-09-23 US disclosed
CN-102666540-A Fused azine derivatives for the treatment of acetylcholine receptor related diseases MSD OSS BV 2012-09-12 CN disclosed
EP-2488520-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR MSD Oss B.V. (NL) 2012-08-22 EP disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
US-20120208796-A1 HETEROCYCLIC DERIVATIVES ORGANON BIOSCIENCES NEDERLAND B.V. (NL) 2012-08-16 US disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed
WO-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 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 (1 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-20120208796-A1 HETEROCYCLIC DERIVATIVES CHRNA5, CHRM5, CHRNA7 MAPT 157/4885HTT 170/4885ALDH1A1 732/4885

“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.