SCHEMBL3385442

SCHEMBL3385442

CCOC(=O)C(C(=O)OCC)c1ccc([N+](=O)[O-])c(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
L3MBTL1 Q9Y468 3/20 0.41
PKM P14618 2/20 0.41
MAPT P10636 9/20 0.40
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
GAA P10253 1/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
GALR2 O43603 1/20 0.36
MITF O75030 1/20 0.36
POLB P06746 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL13532050 0.88 ALDH1A1 (0.45) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL28902627 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL14334237 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL12466651 0.82 MAPT (0.53) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL13007184 0.79 MAPT (0.36) ALDH1A1L3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL3393064 0.79 L3MBTL1 (0.43) ALDH1A1L3MBTL1MAPTSMN1; SMN2MAPK1
SCHEMBL6904885 0.79 CES2 (0.44) ALDH1A1MAPTLMNATDP1KMT2A
SCHEMBL2566726 0.78 ALDH1A1 (0.52) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL10091749 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1PKMMAPTLMNA
SCHEMBL5816889 0.77 MMP8 (0.40) L3MBTL1SMN1; SMN2MAPK1TDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
EP-1943230-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2010-12-22 EP disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1943230-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (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-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 ALDH1A1 1459/4885L3MBTL1 821/4885PKM 1392/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 ALDH1A1 1591/4885L3MBTL1 681/4885PKM 1425/4885

“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.