SCHEMBL2894685

SCHEMBL2894685

COC(=O)c1ccc(NC(=O)c2ccc(CCl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
ATM Q13315 1/20 0.65
SMN1; SMN2 Q16637 5/20 0.62
MAPK1 P28482 3/20 0.62
PTPN1 P18031 1/20 0.61
PSMD14 O00487 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
PKM P14618 2/20 0.56
NAMPT P43490 1/20 0.56
TP53 P04637 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 1/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL21674204 0.88 MEN1 (0.57) NPC1RAB9ASMN1; SMN2PTPN1MEN1
SCHEMBL2021051 0.88 MEN1 (0.57) NPC1RAB9ASMN1; SMN2PTPN1MEN1
SCHEMBL14424704 0.87 NPC1 (0.69) NPC1RAB9AATMSMN1; SMN2MAPK1
SCHEMBL4611024 0.87 NPC1 (0.69) NPC1RAB9AATMSMN1; SMN2MAPK1
SCHEMBL4608963 0.87 NPC1 (0.69) NPC1RAB9AATMSMN1; SMN2MAPK1
SCHEMBL200 0.87 LOXL2 (0.66) NPC1SMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL6263820 0.87 NPC1 (0.83) NPC1RAB9AATMSMN1; SMN2MAPK1
SCHEMBL8660366 0.87 NPC1 (0.83) NPC1RAB9AATMSMN1; SMN2MAPK1
SCHEMBL4050326 0.86 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPK1MEN1
Phosphine SCHEMBL10705044 0.85 LOXL2 (0.63) NPC1RAB9ASMN1; SMN2MAPK1MEN1

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 NPC1 2449/4885RAB9A 4407/4885ATM 4006/4885

“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.