SCHEMBL2201598

SCHEMBL2201598

COc1ccccc1-c1ncccc1C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KEAP1 Q14145 1/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAP4K1 Q92918 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.41
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.41
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
UGCG Q16739 1/20 0.40

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
SCHEMBL6939299 0.85 RAB9A (0.48) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL10027994 0.84 KDM4E (0.59) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29575477 0.83 KMT2A (0.50) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL22717355 0.83 KMT2A (0.50) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6175665 0.83 PARP1 (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL29574629 0.83 PARP1 (0.51) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL7454925 0.80 MEN1 (0.64) MEN1KMT2ASMN1; SMN2KEAP1ALDH1A1
SCHEMBL2199058 0.78 TSHR (0.51) MEN1KMT2ATP53ALDH1A1CYP1A2
SCHEMBL30731171 0.78 NAPRT (0.47) MEN1KMT2ASMN1; SMN2KEAP1GAA
SCHEMBL28044194 0.77 ALDH1A1 (0.58) SMN1; SMN2RAB9ANPC1TP53GAA

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 MEN1 1231/4885KMT2A 2549/4885SMN1; SMN2 403/4885

“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.