SCHEMBL5494869

SCHEMBL5494869

COc1cc([N+](=O)[O-])c(NC(C)=O)cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 4/20 0.45
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.45
NPC1 O15118 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 3/20 0.43
RAF1 P04049 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL13811014 0.84 GAA (0.50) MEN1KMT2AGAALMNAMAPT
SCHEMBL9396485 0.83 MAPT (0.52) MEN1KMT2ALMNAMAPTTHRB
SCHEMBL1291798 0.81 LMNA (0.50) PKMMEN1KMT2AGAALMNA
SCHEMBL4347040 0.79 CYP1A2 (0.52) MEN1KMT2ALMNAMAPTCYP1A2
Hydrochloric Acid SCHEMBL5491741 0.78 HTR2A (0.44) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL28664013 0.76 MAPT (0.51) MEN1KMT2ALMNAMAPTTDP1
SCHEMBL11447660 0.76 CHEK1 (0.56) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL2848376 0.76 ALDH1A1 (0.63) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL11017748 0.75 TDP1 (0.67) PKMMEN1KMT2AGAALMNA
SCHEMBL8513944 0.75 MAPT (0.55) PKMMEN1KMT2ALMNAMAPT

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-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
EP-0907363-A4 8-AMINOQUINOLINES UNIV MISSISSIPPI (US) 2005-04-06 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
EP-0907363-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1999-04-14 EP disclosed
WO-1997036590-A1 8-AMINOQUINOLINES THE UNIVERSITY OF MISSISSIPPI (US) 1997-10-09 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-20010007031-A1 8-AMINOQUINOLINES CYP2C8, COQ8A, TUBA8 PKM 1874/4885MEN1 3524/4885KMT2A 207/4885

“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.