SCHEMBL2554073

SCHEMBL2554073

O=C(COc1ccc(Br)cc1)C1CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL17156122 0.81 ALOX15 (0.59) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL5880760 0.76 RAB9A (0.53) POLBALDH1A1MAPTGAANPC1
SCHEMBL4575441 0.76 HPGD (0.55) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL10938284 0.75 SMN1; SMN2 (0.55) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL653251 0.75 ALOX15 (0.65) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL1722181 0.73 NPC1 (0.54) ALDH1A1MEN1KMT2AHTTNPC1
SCHEMBL4948738 0.73 POLB (0.54) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL2531951 0.73 POLB (0.54) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL13382671 0.73 POLB (0.54) POLBALDH1A1MEN1KMT2AMAPT
SCHEMBL1432953 0.73 POLB (0.54) POLBALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2558094-A1 PYRIDONE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2013-02-20 EP disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
US-20120316200-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-12-13 US disclosed
WO-2011130086-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011130086-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 WO disclosed
WO-2011127643-A1 PYRIDONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-10-20 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 (1 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-20120316200-A1 PYRIDONE DERIVATIVES MC1R, MC5R, MCHR1 POLB 2874/4885ALDH1A1 1125/4885MEN1 1405/4885

“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.