SCHEMBL3393064

SCHEMBL3393064

CCOC(=O)C(C(=O)OCC)c1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 6/20 0.40
MAPT P10636 8/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GPR174 Q9BXC1 1/20 0.37

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
SCHEMBL29434843 0.93 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTCRHBPCRHR2
SCHEMBL2530387 0.93 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTCRHBPCRHR2
SCHEMBL14334111 0.83 PDK1 (0.43) L3MBTL1ALDH1A1MAPTCRHBPCRHR2
SCHEMBL2532268 0.82 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL2530388 0.82 L3MBTL1 (0.40) L3MBTL1ALDH1A1MAPTCRHBPCRHR2
SCHEMBL30365148 0.80 HPGD (0.34) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL21806057 0.80 HPGD (0.34) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL3385442 0.79 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPTCRHBPCRHR2
SCHEMBL28082082 0.78 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL28082084 0.78 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTSMN1; SMN2KDM4E

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
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN claimed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN claimed
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN disclosed
CN-117049938-B Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2024-06-14 CN disclosed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN disclosed
CN-117049938-A Preparation method of 6-bromo-2, 3-difluorotoluene 山东轩德医药科技有限公司 2023-11-14 CN 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
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
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
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 L3MBTL1 821/4885ALDH1A1 1459/4885MAPT 2089/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 L3MBTL1 681/4885ALDH1A1 1591/4885MAPT 1695/4885

“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.