SCHEMBL2931832

SCHEMBL2931832

O=C(c1ccc(CBr)cc1)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
PARP1 P09874 1/20 0.49
VNN1 O95497 3/20 0.48
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
MAOB P27338 1/20 0.44
ALOX15 P16050 2/20 0.43
PGR P06401 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
HDAC1 Q13547 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
SCHEMBL8546874 0.88 CES2 (0.60) CES2CES1ATMTDP1L3MBTL1
SCHEMBL3445668 0.86 PARP1 (0.63) PARP1VNN1ATMTDP1L3MBTL1
SCHEMBL20836220 0.84 CES2 (0.56) CES2CES1ATMTDP1L3MBTL1
SCHEMBL7015547 0.83 SRD5A2 (0.47) CES2CES1ATMTDP1L3MBTL1
SCHEMBL3177794 0.82 PARP1 (0.59) CES2CES1PARP1ATMTDP1
SCHEMBL1744667 0.82 SRD5A2 (0.57) CES2CES1VNN1L3MBTL1ALOX15
SCHEMBL3173817 0.82 PARP1 (0.68) PARP1VNN1ATMTDP1L3MBTL1
SCHEMBL4812828 0.81 PARP1 (0.53) PARP1ATMTDP1L3MBTL1ALOX15
SCHEMBL118227 0.80 CES2 (0.77) CES2CES1ATMTDP1L3MBTL1
SCHEMBL31514279 0.80 ATM (0.71) PARP1VNN1ATMTDP1L3MBTL1

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 6 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
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 WO disclosed
WO-2007104696-A1 ANTIMALARIAL AGENTS HAVING POLYAROMATIC STRUCTURE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-09-20 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 CES2 1603/4885CES1 1690/4885PARP1 387/4885

“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.