SCHEMBL2928146

SCHEMBL2928146

NC1=CCN(C(c2cccc(Cl)c2)c2ccc(CN3CCCC3)c(Cl)c2)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
CYP2A13 Q16696 1/20 0.37
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
C5AR1 P21730 1/20 0.33
MGLL Q99685 2/20 0.33
ABHD6 Q9BV23 2/20 0.33
PLA2G7 Q13093 1/20 0.33
CHKA P35790 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 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
SCHEMBL2929138 0.92 CYP2A13 (0.49) KDM4ESIGMAR1CYP2A13MAPTMGLL
SCHEMBL2926102 0.90 OPRL1 (0.37) KDM4EALDH1A1POLBTDP1SIGMAR1
SCHEMBL2930911 0.89 ALDH1A1 (0.39) KDM4EALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL2930922 0.85 KDM4E (0.37) KDM4EALDH1A1POLBTDP1SIGMAR1
SCHEMBL2931051 0.84 CXCR3 (0.40) KDM4EMEN1KMT2AMGLLABHD6
SCHEMBL2924633 0.83 CYP2A13 (0.41) KDM4EALDH1A1POLBCYP2A13MGLL
SCHEMBL2929683 0.82 ALDH1A1 (0.46) KDM4EALDH1A1POLBTDP1SIGMAR1
SCHEMBL2930004 0.76 KDM4E (0.48) KDM4EALDH1A1POLBTDP1SIGMAR1
SCHEMBL2927970 0.76 MGLL (0.36) KDM4EALDH1A1MGLLABHD6PLA2G7
SCHEMBL2931828 0.75 MAPT (0.40) KDM4EALDH1A1SIGMAR1MAPTMEN1

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 claimed
US-20100093726-A1 NOVEL 4-AMINO-QUINOLINE DERIVATIVES USEFUL AS ANTI-MALARIA DRUGS GIUSEPPE CAMPIANI (IT) 2010-04-15 US claimed
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 KDM4E 315/4885ALDH1A1 4027/4885POLB 2462/4885

“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.