SCHEMBL5494871

SCHEMBL5494871

COc1ccc(NC(=O)C[N+](=O)[O-])cc1Oc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 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
SCHEMBL5491596 0.82 ALDH1A1 (0.60) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL8512871 0.79 CYP3A4 (0.61) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL20165835 0.76 CYP3A4 (0.57) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL8434563 0.76 GRM4 (0.49) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL11876081 0.75 SMN1; SMN2 (0.50) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL6825635 0.74 L3MBTL1 (0.61) MAPTKMT2AMEN1ALDH1A1HTT
SCHEMBL11498106 0.74 CYP3A4 (0.71) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL27546640 0.71 HPGD (0.61) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL5494869 0.70 PKM (0.47) MAPTKMT2AMEN1THRBALDH1A1
SCHEMBL4688915 0.70 MEN1 (0.58) MAPTPOLBKMT2AMEN1THRB

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 MAPT 3291/4885POLB 998/4885KMT2A 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.