SCHEMBL2896501

SCHEMBL2896501

N#Cc1ccc(NC(=O)c2ccc(CCl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.61
NAMPT P43490 2/20 0.57
SAE1 Q9UBE0 1/20 0.56
UBA2 Q9UBT2 1/20 0.56
MEN1 O00255 1/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KMT2A Q03164 1/20 0.56
TAS1R3 Q7RTX0 1/20 0.52
TAS1R1 Q7RTX1 1/20 0.52
TAS1R2 Q8TE23 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
SIRT2 Q8IXJ6 2/20 0.52
ESR1 P03372 1/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL6263516 0.87 MLYCD (0.76) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL9337665 0.87 MLYCD (0.76) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL21674204 0.87 MEN1 (0.57) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL2021051 0.87 MEN1 (0.57) MEN1NPC1RAB9AKMT2APOLB
SCHEMBL6484987 0.85 NPC1 (0.51) MLYCDNAMPTMEN1NPC1RAB9A
SCHEMBL14191199 0.84 NAMPT (0.60) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL8868375 0.84 MLYCD (0.59) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL8868369 0.84 MLYCD (0.59) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL2830292 0.83 MLYCD (0.66) MLYCDNAMPTSAE1UBA2MEN1
SCHEMBL20697672 0.82 HIF1A (0.58) MEN1NPC1RAB9AKMT2APOLB

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-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

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 MLYCD 1754/4885NAMPT 1841/4885SAE1 4366/4885

“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.