SCHEMBL2929466

SCHEMBL2929466

O=C(c1ccc(Cl)cc1)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.71
RAB9A P51151 1/20 0.71
AKR1C3 P42330 1/20 0.67
HPGD P15428 2/20 0.61
MAPT P10636 2/20 0.60
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 2/20 0.60
HRH3 Q9Y5N1 2/20 0.58
LMNA P02545 3/20 0.57
MAPK1 P28482 2/20 0.57
CA2 P00918 1/20 0.57
HIF1A Q16665 1/20 0.57
EPAS1 Q99814 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HTR1A P08908 1/20 0.56
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
KCNH2 Q12809 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL8027548 0.94 HPGD (0.68) NPC1RAB9AHPGDALDH1A1KMT2A
Hydrochloric Acid SCHEMBL27789112 0.92 HPGD (0.66) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL28529627 0.88 HIF1A (0.68) NPC1RAB9AHPGDMAPTALDH1A1
SCHEMBL13266931 0.88 HPGD (0.61) NPC1RAB9AHPGDALDH1A1KMT2A
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.87 HRH3 (0.74) NPC1RAB9AAKR1C3MAPTALDH1A1
Succinic Acid SCHEMBL27767598 0.86 HPGD (0.59) NPC1RAB9AHPGDALDH1A1KMT2A
SCHEMBL2928330 0.86 SMN1; SMN2 (0.64) NPC1RAB9AAKR1C3HPGDALDH1A1
SCHEMBL18413640 0.85 HPGD (0.66) NPC1RAB9AAKR1C3HPGDALDH1A1
SCHEMBL2929035 0.85 ALDH1A1 (0.70) NPC1RAB9AALDH1A1HRH3KDM4E
SCHEMBL13266930 0.84 HPGD (0.57) NPC1RAB9AHPGDALDH1A1KMT2A

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 5 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

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 NPC1 3594/4885RAB9A 487/4885AKR1C3 4315/4885

“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.