SCHEMBL1147313

SCHEMBL1147313

CCN(CC)CCCC(N)CCCN(CC)CC

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.56
PLA2G2A P14555 1/20 0.56
SIGMAR1 Q99720 1/20 0.42
NPSR1 Q6W5P4 1/20 0.35
CACNA2D1 P54289 8/20 0.33
ALDH1A1 P00352 1/20 0.33
S1PR2 O95136 4/20 0.32
S1PR1 P21453 4/20 0.32
S1PR3 Q99500 4/20 0.32
S1PR4 O95977 3/20 0.32
SLC2A1 P11166 1/20 0.32

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
SCHEMBL8285701 0.93 PLA2G1B (0.55) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL30601205 0.93 PLA2G1B (0.61) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL1147021 0.92 PLA2G1B (0.59) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
Hydrochloric Acid SCHEMBL3877978 0.91 PLA2G1B (0.53) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL22442865 0.83 PLA2G1B (0.55) PLA2G1BPLA2G2ASIGMAR1CACNA2D1ALDH1A1
SCHEMBL3856955 0.82 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL417108 0.82 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL29881540 0.82 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL3856709 0.82 OPRM1 (0.50) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1
SCHEMBL20828858 0.80 PLA2G1B (0.42) PLA2G1BPLA2G2ASIGMAR1NPSR1CACNA2D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2011-02-24 US disclosed
WO-2009148659-A2 ANTIMALARIAL QUINOLINES AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2009-12-10 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-20110045100-A1 Antimalarial Quinolines and Methods of Use Thereof NQO2, QTRT1, QTRT2 PLA2G1B 1379/4885PLA2G2A 1872/4885SIGMAR1 2320/4885

“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.