SCHEMBL2929138

SCHEMBL2929138

NC1=CCN(C(c2cccc(Cl)c2)c2ccc(CN3CCOCC3)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.49
SIGMAR1 Q99720 1/20 0.36
LRRK2 Q5S007 1/20 0.36
P2RX7 Q99572 2/20 0.36
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
ACVRL1 P37023 1/20 0.35
PDE4B Q07343 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KDM4E B2RXH2 2/20 0.34
HIF1A Q16665 1/20 0.34
PLA2G7 Q13093 1/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
MAPT P10636 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33

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
SCHEMBL2928146 0.92 KDM4E (0.39) CYP2A13SIGMAR1KDM4EPLA2G7MGLL
SCHEMBL2924633 0.91 CYP2A13 (0.41) CYP2A13LRRK2P2RX7PDE4BKDM4E
SCHEMBL2923695 0.83 CYP2A13 (0.40) CYP2A13HTTPDE4BNPSR1HCRTR1
SCHEMBL2930911 0.81 ALDH1A1 (0.39) SIGMAR1KDM4EHIF1A
SCHEMBL2930922 0.78 KDM4E (0.37) SIGMAR1KDM4EMAPT
SCHEMBL2923318 0.77 CYP2A13 (0.63) CYP2A13SIGMAR1LRRK2P2RX7HTT
SCHEMBL2931051 0.76 CXCR3 (0.40) KDM4EPLA2G7MGLLABHD6
SCHEMBL2925247 0.76 PDE4B (0.45) PDE4BKDM4EHIF1AMAPT
SCHEMBL4554452 0.75 DRD2 (0.40) SIGMAR1NPSR1
SCHEMBL2929683 0.74 ALDH1A1 (0.46) SIGMAR1KDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP claimed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US claimed
EP-2121616-B1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2010-09-15 EP disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 CYP2A13 2952/4885SIGMAR1 2671/4885LRRK2 3100/4885

“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.