SCHEMBL2894256

SCHEMBL2894256

COC(=O)c1ccc(F)c(NC(=O)c2ccc(CCl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
KMT2A Q03164 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
MAPK14 Q16539 1/20 0.46
ATM Q13315 1/20 0.46
ROCK2 O75116 1/20 0.46
WDR5 P61964 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL2893350 0.88 RAB9A (0.52) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL19029403 0.80 RAB9A (0.64) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL2894685 0.77 NPC1 (0.65) MAPTMAPK1ALDH1A1KDM4ENPC1
SCHEMBL2896558 0.77 RAB9A (0.72) MAPTMAPK1ALDH1A1POLBNPC1
SCHEMBL28648134 0.77 ALDH1A1 (0.50) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL1641773 0.77 IL2 (0.56) HDAC1HDAC8HDAC6MAPTALDH1A1
SCHEMBL9502523 0.77 PLK1 (0.58) MAPTMAPK1ALDH1A1KDM4EKMT2A
SCHEMBL200 0.76 LOXL2 (0.66) MAPTGAAMAPK1ALDH1A1KDM4E
SCHEMBL28278861 0.76 KDM4E (0.51) HDAC1HDAC8HDAC6MAPTGAA
SCHEMBL16709806 0.75 KMT2A (0.54) MAPTALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
US-7678794-B2 Potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2010-03-16 US disclosed
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 US disclosed
US-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; ELI LILLY AND COMPANY 2008-01-03 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 (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-20080004321-A1 3-{[4-(4-acetyl-3-hydroxy-2-propylphenoxymethyl)-phenyl]-(S)-hydroxymethyl}-benzoic acid; anxiolytic, neuroleptic agent and antidepressant as glutamate receptor agonist; antiinflammatory agent as leukotriene receptor agonist; LTB4R, LTB4R2, CYSLTR1 HDAC1 1081/4885HDAC8 1147/4885HDAC6 2102/4885

“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.