SCHEMBL2543072

SCHEMBL2543072

COC(=O)c1nn(-c2ccc(Br)cc2F)c(=O)cc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MET P08581 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
ELANE P08246 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
STAT3 P40763 1/20 0.38
STAT1 P42224 1/20 0.38
KLF5 Q13887 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
SCHEMBL25078345 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL30949195 0.88 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL25078219 0.86 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL25077819 0.84 ALDH1A1 (0.58) ALDH1A1METSMN1; SMN2RAB9ACYP1A2
SCHEMBL29606863 0.84 ALDH1A1 (0.58) ALDH1A1METSMN1; SMN2RAB9ACYP1A2
SCHEMBL2540749 0.79 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL29233756 0.78 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL11945539 0.76 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9
SCHEMBL28748456 0.75 ALDH1A1 (0.60) ALDH1A1METSMN1; SMN2RAB9ACYP1A2
SCHEMBL28748464 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2RAB9ACYP1A2CYP2C9

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 1093/4885MET 788/4885SMN1; SMN2 2820/4885
US-20110263548-A1 PYRIDONE AND PYRIDAZONE ANALOGUES AS GPR119 MODULATORS GPR119, GPR4, GPR3 ALDH1A1 1153/4885MET 746/4885SMN1; SMN2 2854/4885

“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.