SCHEMBL1549998

SCHEMBL1549998

NC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(=O)cc1OC1CCN(C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 7/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ SCD O00767 3/20 0.35
▸ HPGD P15428 1/20 0.34
▸ CHEK2 O96017 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
SCHEMBL2540793 0.88 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2LMNACHEK2
SCHEMBL1551079 0.85 GPR119 (0.46) —
SCHEMBL1549963 0.84 MAPT (0.38) ALDH1A1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL1550677 0.83 GAA (0.40) KMT2ASMN1; SMN2SCD
SCHEMBL2546607 0.80 KMT2A (0.36) KMT2ASMN1; SMN2TDP1SCD
SCHEMBL14237660 0.79 JAK3 (0.36) KMT2ASMN1; SMN2SCD
SCHEMBL1551033 0.79 ALDH1A1 (0.50) ALDH1A1KMT2AMAPTCYP2C9CYP2C19
SCHEMBL1549862 0.78 GPR119 (0.43) —
SCHEMBL2546749 0.75 FPR2 (0.37) ALDH1A1SMN1; SMN2SCD
SCHEMBL2545267 0.74 GPR119 (0.60) —

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
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 ALDH1A1 1093/4885KMT2A 3211/4885MAPT 3761/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1153/4885KMT2A 3266/4885MAPT 3848/4885

“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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