SCHEMBL2896558

SCHEMBL2896558

COC(=O)c1cccc(NC(=O)c2ccc(CCl)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
MAPT P10636 5/20 0.62
TP53 P04637 1/20 0.61
NPSR1 Q6W5P4 1/20 0.60
HTT P42858 2/20 0.59
GPR17 Q13304 1/20 0.57
ABL1 P00519 1/20 0.56
RIN1 Q13671 1/20 0.56
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL1815384 0.85 RAB9A (0.80) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2894685 0.84 NPC1 (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL677770 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6242208 0.82 RAB9A (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1815533 0.82 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2896309 0.81 RAB9A (0.65) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11710023 0.81 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL677703 0.81 RAB9A (0.86) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2024479 0.81 HPSE (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL25138816 0.80 RAB9A (0.91) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
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
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 RAB9A 4407/4885NPC1 2449/4885SMN1; SMN2 4564/4885

“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.