SCHEMBL2199929

SCHEMBL2199929

O=C(O)c1cnc2cccc(OCc3ccccc3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 6/20 0.56
SRD5A2 P31213 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 2/20 0.51
NPC1 O15118 1/20 0.51
MITF O75030 1/20 0.51
TP53 P04637 1/20 0.51
XBP1 P17861 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGER1 P34995 1/20 0.51
LTB4R Q15722 2/20 0.50
LTB4R2 Q9NPC1 2/20 0.50
MGAM O43451 1/20 0.50
NR4A2 P43354 1/20 0.50
XDH P47989 1/20 0.49

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
SCHEMBL2200977 0.85 PPIA (0.52) MRGPRX4MEN1KMT2ANPC1RAB9A
SCHEMBL30440820 0.80 MGAM (0.51) MRGPRX4HPGDSMN1; SMN2MGAMRXRA
SCHEMBL2202272 0.80 MGAM (0.51) MRGPRX4HPGDSMN1; SMN2MGAMRXRA
SCHEMBL30829596 0.80 MGAM (0.51) MRGPRX4HPGDSMN1; SMN2MGAMRXRA
SCHEMBL30582316 0.78 MRGPRX4 (0.75) MRGPRX4SRD5A2MEN1KMT2AHPGD
SCHEMBL8881727 0.77 MEN1 (0.54) MRGPRX4MEN1KMT2AHPGDNPC1
SCHEMBL30563873 0.77 PDGFRB (0.54) SMN1; SMN2
SCHEMBL21222766 0.77 PDGFRB (0.54) SMN1; SMN2
SCHEMBL31133124 0.76 HPGD (0.55) MRGPRX4MEN1KMT2AHPGDNPC1
SCHEMBL31132733 0.76 HPGD (0.55) MRGPRX4MEN1KMT2AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868998-B1 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS VFP THERAPIES (FR) 2016-05-25 EP disclosed
US-7977354-B2 Heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents INSA ROUEN (FR) 2011-07-12 US disclosed
US-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2009-03-05 US disclosed
EP-1868998-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS Insa Rouen (FR) 2007-12-26 EP disclosed
EP-1731507-A1 New heterocyclic compounds, their preparation and their use as medicaments, in particular as anti-alzheimer agents Institut National des Sciences Appliquees de Rouen (INSA) (FR) 2006-12-13 EP disclosed
WO-2006103120-A2 NEW HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS INSA ROUEN (FR) 2006-10-05 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-20090062279-A1 HETEROCYCLIC COMPOUNDS, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS, IN PARTICULAR AS ANTI-ALZHEIMER AGENTS NLN, SNCA, APP MRGPRX4 2458/4885SRD5A2 1251/4885MEN1 1231/4885

“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.