SCHEMBL2923318

SCHEMBL2923318

NC(c1cccc(Cl)c1)c1ccc(CN2CCOCC2)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.63
SIGMAR1 Q99720 1/20 0.45
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HIF1A Q16665 1/20 0.40
PDE4B Q07343 2/20 0.40
LRRK2 Q5S007 1/20 0.40
NCF1 P14598 1/20 0.40
P2RX7 Q99572 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL2930004 0.89 KDM4E (0.48) CYP2A13SIGMAR1KDM4EALDH1A1
SCHEMBL2931423 0.86 PDE4B (0.50) CYP2A13SIGMAR1HTTRECQLALDH1A1
SCHEMBL4109682 0.78 CYP2A13 (1.00) CYP2A13SIGMAR1HTTCYP2C9ALOX15
SCHEMBL2929138 0.77 CYP2A13 (0.49) CYP2A13SIGMAR1HTTRECQLNPSR1
Ammonia Solution, Strong SCHEMBL2923323 0.76 CYP2A13 (0.68) CYP2A13SIGMAR1HTTRECQLKDM4E
SCHEMBL2929444 0.74 CYP2A13 (0.48) CYP2A13
SCHEMBL2926469 0.74 ALDH1A1 (0.50) SIGMAR1HTTKDM4EALDH1A1
SCHEMBL3304078 0.73 CYP2A13 (0.63) CYP2A13SIGMAR1HTTCYP2C9ALOX15
SCHEMBL30900092 0.73 CYP2A13 (0.71) CYP2A13SIGMAR1CYP2C9ALOX15HSD17B10
SCHEMBL4264928 0.73 CYP2A13 (0.71) CYP2A13SIGMAR1CYP2C9ALOX15HSD17B10

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
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 2671/4885HTT 2652/4885

“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.