SCHEMBL1668445

SCHEMBL1668445

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ATM Q13315 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTT P42858 3/20 0.45
KCNMA1 Q12791 1/20 0.44
GLA P06280 1/20 0.44
FAAH O00519 1/20 0.44
MGLL Q99685 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL1668008 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ATMTDP1HTT
SCHEMBL27712481 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2ATMTDP1HTT
SCHEMBL691635 0.83 TDP1 (0.51) ALDH1A1SMN1; SMN2ATMTDP1KCNMA1
SCHEMBL1668382 0.82 POLB (0.61) ALDH1A1SMN1; SMN2ATMTDP1HTT
SCHEMBL2458816 0.80 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2ATMTDP1HTT
SCHEMBL16123041 0.80 TDP1 (0.51) ALDH1A1SMN1; SMN2ATMTDP1HTT
SCHEMBL31548078 0.80 SIRT6 (0.56) ALDH1A1SMN1; SMN2ATMTDP1KCNMA1
SCHEMBL137523 0.80 SIRT6 (0.56) ALDH1A1SMN1; SMN2ATMTDP1KCNMA1
SCHEMBL6888042 0.79 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2ATMTDP1KCNMA1
SCHEMBL13715272 0.79 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2TDP1HTTGLA

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 ALDH1A1 732/4885SMN1; SMN2 1592/4885ATM 3990/4885

“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.