SCHEMBL5498197

SCHEMBL5498197

COc1cc(NC(C)CCCN2C(=O)c3ccccc3C2=O)c2c(c1Oc1ccc(Cl)c(Cl)c1)CC=CN2C

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.44
MAOB P27338 6/20 0.44
KDM4E B2RXH2 1/20 0.34
NSD2 O96028 1/20 0.34
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GLA P06280 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL5498198 0.85 MAOA (0.43) MAOAMAOBPOLBALDH1A1GAA
SCHEMBL6442964 0.78 MAOA (0.50) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL5493085 0.78 MAOA (0.72) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL11545426 0.71 KDM4E (0.59) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL14534512 0.71 MAOA (0.60) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL6442958 0.70 MAOA (0.44) MAOAMAOBKDM4ENSD2MAPT
Hydrochloric Acid SCHEMBL11065248 0.68 MAOA (0.62) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL10949994 0.67 HSP90AA1 (0.56) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL11072989 0.67 MAOA (0.71) MAOAMAOBKDM4ENSD2MAPT
SCHEMBL10944231 0.66 HSP90AA1 (0.58) MAOAMAOBKDM4ENSD2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907363-B1 Medicament comprising (-)-8-[(4-amino-1-méthylbutyl)amino]-5-(3,4-dichlorophénoxy)-6-méthoxy-4-méthylquinoline for the treatment of parasitic and opportunistic infections UNIV MISSISSIPPI (US) 2007-05-23 EP disclosed
US-6376511-B2 ENANTIOMERS OF 8-AMINOQUINOLINE; ANTIPARASITIC COMPOUNDS FOR TREATMENT OR PREVENTION OF PNEUMOCYSTIS CARINII PNEUMONIA, TOXOPLASMOSIS, MALARIA, LEISHMANIASIS, OR TRYPSONOSOMIA THE UNIVERSITY OF MISSISSIPPI 2002-04-23 US disclosed
US-20010007031-A1 8-AMINOQUINOLINES UNIVERSITY OF MIAMI, THE 2001-07-05 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-20010007031-A1 8-AMINOQUINOLINES CYP2C8, COQ8A, TUBA8 MAOA 963/4885MAOB 1272/4885KDM4E 632/4885

“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.