SCHEMBL2543018

SCHEMBL2543018

COC(=O)c1nn(-c2ccc(C#N)c(F)c2)c(=O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.61
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ FHIT P49789 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ HPGD P15428 1/20 0.38

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
SCHEMBL2540749 0.83 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL11945539 0.81 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL2536186 0.79 KDM1A (0.46) ALDH1A1SMN1; SMN2GAAL3MBTL1MAPT
SCHEMBL2543076 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
Hydrochloric Acid SCHEMBL2545048 0.78 KDM1A (0.45) ALDH1A1SMN1; SMN2GAAL3MBTL1MAPT
SCHEMBL1550792 0.76 GPR119 (0.47) —
SCHEMBL4341080 0.76 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL2546655 0.76 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL388564 0.76 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2RAB9AGAAL3MBTL1
SCHEMBL25077819 0.74 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2RAB9AMAPTCYP1A2

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 1093/4885SMN1; SMN2 2820/4885RAB9A 1722/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1153/4885SMN1; SMN2 2854/4885RAB9A 1599/4885

“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