SCHEMBL3095592

SCHEMBL3095592

CCOC(=O)CCN(C)C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
BCHE P06276 2/20 0.48
ACHE P22303 2/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.46
BCL9 O00512 1/20 0.45
CTNNB1 P35222 1/20 0.45
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
MEN1 O00255 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL5114622 0.82 MAPK1 (0.51) BCHEACHEATML3MBTL1ALDH1A1
SCHEMBL716520 0.81 LMNA (0.53) LMNAACHEL3MBTL1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL28746969 0.80 LMNA (0.51) LMNAACHEL3MBTL1ALDH1A1MAPK1
SCHEMBL6650881 0.79 MAPT (0.55) LMNAALDH1A1MAPK1MAPTKDM4E
SCHEMBL5208814 0.79 ALDH1A1 (0.55) LMNAACHEALDH1A1KMT2AMAPK1
SCHEMBL1429530 0.79 MAPK1 (0.51) BCHEACHEATML3MBTL1ALDH1A1
SCHEMBL27884533 0.78 ALDH1A1 (0.57) ATML3MBTL1ALDH1A1KMT2AMAPK1
SCHEMBL11441268 0.77 ALDH1A1 (0.50) BCHEACHEATML3MBTL1ALDH1A1
SCHEMBL32685468 0.77 MAPT (0.65) LMNAATML3MBTL1ALDH1A1KMT2A
SCHEMBL3936910 0.76 BCHE (0.50) BCHEACHEALDH1A1MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
CN-102015641-B Heterocyclic compound TAKEDA PHARMACEUTICAL 2014-01-01 CN disclosed
US-8436043-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20120270865-A2 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-25 US disclosed
CN-102015641-A Heterocyclic compound TAKEDA PHARMACEUTICAL 2011-04-13 CN disclosed
EP-2251326-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-11-17 EP disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 EP 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-20120270865-A2 HETEROCYCLIC COMPOUND SLC5A2, SLC5A1, IAPP LMNA 3028/4885BCHE 1649/4885ACHE 1686/4885
US-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR LMNA 2457/4885BCHE 1252/4885ACHE 3233/4885

“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.