SCHEMBL2926469

SCHEMBL2926469

NC(c1ccc(CN2CCCC2)cc1)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
PRMT6 Q96LA8 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH4 Q9H3N8 1/20 0.44
MCHR1 Q99705 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL2931423 0.88 PDE4B (0.50) ALDH1A1SIGMAR1HRH3SMN1; SMN2HTT
SCHEMBL2930004 0.85 KDM4E (0.48) ALDH1A1KDM4ESIGMAR1POLB
SCHEMBL2924514 0.85 ALDH1A1 (0.70) ALDH1A1KDM4ESIGMAR1CYP2D6CYP2C19
SCHEMBL5591825 0.83 KDM4E (0.50) ALDH1A1KDM4ESIGMAR1CYP2D6CYP2C19
SCHEMBL3169406 0.76 SIGMAR1 (0.79) ALDH1A1KDM4ESIGMAR1CYP2D6CYP2C19
SCHEMBL29447340 0.76 SIGMAR1 (0.79) ALDH1A1KDM4ESIGMAR1CYP2D6CYP2C19
SCHEMBL8276926 0.76 SLC6A2 (0.49) CYP2D6CYP2C19
SCHEMBL8278910 0.76 SLC6A2 (0.49) CYP2D6CYP2C19
SCHEMBL21645338 0.76 ALDH1A1 (0.48) ALDH1A1
SCHEMBL1890670 0.75 SIGMAR1 (0.77) ALDH1A1KDM4ESIGMAR1CYP2D6CYP2C19

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 disclosed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US disclosed
EP-2121616-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS Campiani, Giuseppe (IT) 2009-11-25 EP disclosed
WO-2008101891-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS CAMPIANI GIUSEPPE (IT) 2008-08-28 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-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS QTRT1, QTRT2, IL4I1 ALDH1A1 4027/4885KDM4E 315/4885SIGMAR1 2671/4885

“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.