SCHEMBL4957066

SCHEMBL4957066

CCN(CCO)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.88
TP53 P04637 3/20 0.88
CYP3A4 P08684 3/20 0.88
CASP1 P29466 3/20 0.88
CASP7 P55210 3/20 0.88
HBB P68871 3/20 0.88
HSD17B10 Q99714 3/20 0.88
CYP1A2 P05177 2/20 0.88
CYP2D6 P10635 2/20 0.88
TSHR P16473 2/20 0.88
BRCA1 P38398 2/20 0.88
HIF1A Q16665 2/20 0.88
CHRM2 P08172 2/20 0.88
CHRM4 P08173 2/20 0.88
CHRM5 P08912 2/20 0.88
ADRA2A P08913 2/20 0.88
CHRM1 P11229 2/20 0.88
ADRA2B P18089 2/20 0.88
ADRA2C P18825 2/20 0.88
CHRM3 P20309 2/20 0.88

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
SCHEMBL3362529 0.95 USP2 (0.83) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL29717736 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL17704776 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL29363141 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL1817364 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL20205 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL19225 0.94 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL162379 0.93 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL15061349 0.93 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7
Quinacrine SCHEMBL33693 0.93 USP2 (1.00) USP2TP53CYP3A4CASP1CASP7

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
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis KOSAK KENNETH M 2008-02-28 US disclosed
WO-2007040469-A2 CHLOROQUINE COUPLED COMPOSITIONS AND METHODS FOR THEIR SYNTHESIS KOSAK KEN M (US) 2007-04-12 WO disclosed
US-20070060499-A1 Chloroquine combination drugs and methods for their synthesis KOSAK KENNETH M 2007-03-15 US disclosed
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis KOSAK KENNETH M 2006-02-23 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 (3 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-20070060499-A1 Chloroquine combination drugs and methods for their synthesis CHMP4B, CTSA, CLTA USP2 1617/4885TP53 2795/4885CYP3A4 2329/4885
US-20080051323-A1 Chloroquine drug compositions and methods for their synthesis CHMP4B, CTSA, CLTA USP2 1497/4885TP53 2605/4885CYP3A4 2799/4885
US-20060040879-A1 Chloroquine coupled nucleic acids and methods for their synthesis TLR9, TLR3, EXOSC5 USP2 2326/4885TP53 1581/4885CYP3A4 3888/4885

“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.