SCHEMBL4945911

SCHEMBL4945911

Oc1ccc2c(CCBr)coc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.51
GAA P10253 3/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP19A1 P11511 2/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HSD17B10 Q99714 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
CA12 O43570 1/20 0.44
AKR1B10 O60218 1/20 0.44
TTR P02766 1/20 0.44
ESR1 P03372 1/20 0.44
TP53 P04637 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
SCHEMBL743339 0.84 PIM1 (0.52) PIM1GAAPOLBKMT2AMEN1
SCHEMBL2267628 0.83 HSD17B3 (0.60) PIM1GAAPOLBKMT2AMEN1
SCHEMBL742927 0.80 PIM1 (0.55) PIM1GAAPOLBKMT2AMEN1
SCHEMBL11186988 0.79 AHR (0.37) GAAALDH1A1SMN1; SMN2HSD17B10MAPT
SCHEMBL5211289 0.79 HSD17B3 (0.63) PIM1GAAPOLBKMT2AMEN1
SCHEMBL8690172 0.79 PIM1 (0.58) PIM1GAAPOLBKMT2AMEN1
SCHEMBL28818101 0.79 PIM1 (0.54) PIM1GAAPOLBKMT2AMEN1
SCHEMBL16448790 0.79 HSD17B3 (0.60) PIM1GAAPOLBKMT2AMEN1
SCHEMBL8690961 0.78 PIM1 (0.53) PIM1GAAPOLBKMT2AMEN1
SCHEMBL27469537 0.76 HSD17B3 (0.73) GAAKMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors MERCK SHARP & DOHME CORP. 2008-11-27 US disclosed
EP-1773774-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006014918-A2 HETEROCYCLIC ACETOPHENONE POTENTIATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERCK & CO., INC. (US) 2006-02-09 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-20080293684-A1 Heterocyclic Acetophenone Potentiators of Metabotropic Glutamate Receptors GRM2, GRM1, GRIK2 PIM1 4344/4885GAA 2375/4885POLB 4114/4885

“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.