SCHEMBL2924633

SCHEMBL2924633

NC1=CCN(C(c2cccc(Cl)c2)c2ccc(CN3CCOCC3)c(Cl)c2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 3/20 0.41
ALOX5AP P20292 2/20 0.38
FEN1 P39748 2/20 0.38
IKBKE Q14164 1/20 0.37
OPRL1 P41146 1/20 0.36
MGLL Q99685 3/20 0.36
ABHD6 Q9BV23 3/20 0.36
P2RX7 Q99572 1/20 0.34
RORC P51449 1/20 0.34
LRRK2 Q5S007 1/20 0.33
SCN9A Q15858 1/20 0.33
PDE4B Q07343 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
PLA2G7 Q13093 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 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
SCHEMBL2926102 0.93 OPRL1 (0.37) OPRL1MGLLABHD6P2RX7POLB
SCHEMBL2929138 0.91 CYP2A13 (0.49) CYP2A13MGLLABHD6P2RX7LRRK2
SCHEMBL2928146 0.83 KDM4E (0.39) CYP2A13OPRL1MGLLABHD6POLB
SCHEMBL2927970 0.78 MGLL (0.36) ALOX5APFEN1MGLLABHD6PLA2G7
SCHEMBL2925331 0.75 ALDH1A1 (0.44) OPRL1KDM4EALDH1A1LMNA
SCHEMBL2923695 0.75 CYP2A13 (0.40) CYP2A13PDE4BPOLBKDM4EALDH1A1
SCHEMBL2930922 0.73 KDM4E (0.37) POLBKDM4EALDH1A1LMNA
SCHEMBL2930911 0.73 ALDH1A1 (0.39) OPRL1HIF1AKDM4EALDH1A1LMNA
SCHEMBL2923318 0.73 CYP2A13 (0.63) CYP2A13P2RX7LRRK2PDE4BHIF1A
SCHEMBL2925247 0.72 PDE4B (0.45) PDE4BHIF1AEPAS1KDM4EALDH1A1

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 CYP2A13 2952/4885ALOX5AP 3665/4885FEN1 4581/4885

“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.