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SCHEMBL3408531

SCHEMBL3408531

Cc1cc([N+](=O)[O-])c(F)cc1C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MAPT P10636 6/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ CYP1A2 P05177 2/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ ESPL1 Q14674 1/20 0.34
▸ LMNA P02545 4/20 0.34
▸ GPR174 Q9BXC1 1/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33

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
SCHEMBL3412056 0.90 ALDH1A1 (0.39) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A
SCHEMBL27837948 0.80 TSHR (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A
SCHEMBL3410012 0.78 LMNA (0.35) CYP1A2KMT2ALMNA
SCHEMBL3410406 0.77 ALDH1A1 (0.46) ALDH1A1MAPTKMT2ALMNATDP1
SCHEMBL2437569 0.77 TDP1 (0.44) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A
SCHEMBL14008532 0.76 PDGFRB (0.48) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3016186 0.76 ALDH1A1 (0.47) ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL4996468 0.75 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL5074832 0.75 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL20703719 0.74 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2262795-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF AstraZeneca AB (SE) 2010-12-22 — — EP disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 — — WO disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 — — WO disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 — — US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 — — US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 — — 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 (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-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 CHRM1, CHRM2, CHRM3 ALDH1A1 1441/4885MAPT 3677/4885SMN1; SMN2 1050/4885

“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.