SCHEMBL2543076

SCHEMBL2543076

COC(=O)c1nn(-c2ccc(C#N)nc2)c(=O)cc1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.65
▸ MAPT P10636 3/20 0.50
▸ GAA P10253 2/20 0.50
▸ THRB P10828 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ FHIT P49789 1/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK1 P28482 2/20 0.39

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
SCHEMBL2543018 0.79 ALDH1A1 (0.61) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL11945539 0.77 ALDH1A1 (0.76) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL388564 0.76 ALDH1A1 (0.76) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL2542770 0.76 GPR119 (0.50) SMN1; SMN2CYP1A2CYP2C19CYP2C9
SCHEMBL4341080 0.75 ALDH1A1 (0.73) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL1550557 0.75 ALDH1A1 (0.73) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL2546655 0.75 ALDH1A1 (0.69) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL2538523 0.74 ALDH1A1 (0.71) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL25077853 0.72 ALDH1A1 (0.62) ALDH1A1MAPTGAATHRBRECQL
SCHEMBL2540749 0.72 ALDH1A1 (0.65) ALDH1A1MAPTGAATHRBRECQL

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 4 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

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 1093/4885MAPT 3761/4885GAA 3774/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1153/4885MAPT 3848/4885GAA 3671/4885

“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.

Send feedback