SCHEMBL2930005

SCHEMBL2930005

Clc1cccc(NCc2ccc(CN3CCCC3)c(Cl)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.47
CYP2A13 Q16696 1/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
LMNA P02545 1/20 0.44
CHKA P35790 1/20 0.43
MAPT P10636 1/20 0.42
RECQL P46063 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
SCHEMBL2923321 0.90 CYP2A13 (0.61) SIGMAR1SMN1; SMN2GAACYP2A13ALDH1A1
SCHEMBL2926471 0.87 SMN1; SMN2 (0.53) SIGMAR1SMN1; SMN2GAAALDH1A1POLB
Ammonia Solution, Strong SCHEMBL2930007 0.79 SIGMAR1 (0.57) SIGMAR1SMN1; SMN2CYP2A13ALDH1A1POLB
SCHEMBL2931427 0.78 HIF1A (0.61) SMN1; SMN2ALDH1A1LMNA
SCHEMBL11511594 0.76 FFAR1 (0.50) GAAALDH1A1KDM4ELMNAMAPT
SCHEMBL11512272 0.75 MAPT (0.56) SMN1; SMN2GAAALDH1A1KDM4ETDP1
SCHEMBL24508364 0.74 KDM4E (0.73) SIGMAR1SMN1; SMN2CYP2A13ALDH1A1POLB
SCHEMBL2927634 0.73 CHRM1 (0.51) SMN1; SMN2GAAALDH1A1KDM4EMAPT
SCHEMBL30596611 0.73 KDM4E (0.71) SIGMAR1SMN1; SMN2CYP2A13ALDH1A1POLB
SCHEMBL632217 0.73 CHRM2 (0.55) SMN1; SMN2GAAALDH1A1KDM4ELMNA

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 SIGMAR1 2671/4885SMN1; SMN2 4673/4885GAA 2907/4885

“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.