SCHEMBL991159

SCHEMBL991159

Cc1nc(CCCCCCCCCCCCc2noc(C)n2)no1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.36
CHRM4 P08173 6/20 0.36
CHRM5 P08912 6/20 0.36
CHRM1 P11229 6/20 0.36
CHRM3 P20309 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.32
PIK3CG P48736 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL20893260 0.92 CHRM2 (0.44) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16276004 0.87 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL14297499 0.86 CHRM2 (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL9130919 0.79
SCHEMBL13838021 0.78 ALDH1A1 (0.42) PIK3CGKDM4EALDH1A1SMN1; SMN2HSD17B10
SCHEMBL12284250 0.77 L3MBTL1 (0.35) L3MBTL1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3796925 0.75
SCHEMBL469321 0.75
SCHEMBL21527458 0.74 PIK3CG (0.33) PIK3CG
SCHEMBL21527457 0.73

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-8012985-B2 parasiticides, in particularly against Plasmodium and babesia; antimalarial agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2011-09-06 US disclosed
EP-2275100-A2 Compounds with anti-parasitic activity and drugs containing said compounds Centre National de la Recherche Scientifique (CNRS) (FR) 2011-01-19 EP disclosed
EP-2266555-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-29 EP disclosed
EP-2260840-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
EP-2260841-A2 Compounds with antiparasitic activity and medicines containing same Centre National de la Recherche Scientifique (CNRS) (FR) 2010-12-15 EP disclosed
US-20050176819-A1 Compounds with antiparasitic activity and medicines containing same CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N. (FR) 2005-08-11 US disclosed
EP-1524972-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2005-04-27 EP disclosed
WO-2004009068-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY AND MEDICINES CONTAINING SAME CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2004-01-29 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-20050176819-A1 Compounds with antiparasitic activity and medicines containing same ACHE, MPO, PDF CHRM2 2102/4885CHRM4 2511/4885CHRM5 1843/4885

“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.