SCHEMBL1549963

SCHEMBL1549963

N#Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ BCAT1 P54687 1/20 0.36
▸ ALDH1A1 P00352 6/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ OPRK1 P41145 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SCD O00767 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ S1PR4 O95977 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ S1PR1 P21453 1/20 0.34

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
SCHEMBL12234574 0.88 ALDH1A1 (0.49) MAPTALDH1A1LMNA
SCHEMBL14237588 0.86 MAPT (0.35) MAPTPOLBCYP2C9CYP2C19BCAT1
SCHEMBL1550611 0.85 GPR119 (0.45) —
SCHEMBL1549998 0.84 ALDH1A1 (0.41) MAPTPOLBCYP2C9CYP2C19ALDH1A1
SCHEMBL2541877 0.83 BCAT1 (0.42) MAPTBCAT1ALDH1A1NPC1OPRK1
SCHEMBL2543568 0.82 JAK3 (0.37) MAPTBCAT1ALDH1A1NPC1OPRK1
SCHEMBL1550309 0.81 GPR119 (0.43) —
SCHEMBL2542089 0.81 GPR119 (0.34) MAPTBCAT1ALDH1A1NPC1OPRK1
SCHEMBL2545667 0.75 GPR6 (0.38) SCD
SCHEMBL2542644 0.74 GPR119 (0.59) CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP claimed
US-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-23 — — US disclosed
US-8372837-B2 Pyridone and pyridazone analogues as GPR119 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 — — US disclosed
EP-2313395-B1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2012-12-19 — — EP disclosed
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-27 — — US disclosed
EP-2313395-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS Bristol-Myers Squibb Company (US) 2011-04-27 — — EP disclosed
WO-2010009183-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-21 — — 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 (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-20130131074-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MAPT 3761/4885POLB 4205/4885CYP2C9 1301/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 MAPT 3848/4885POLB 4192/4885CYP2C9 1293/4885

“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.

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