SCHEMBL5099480

SCHEMBL5099480

OC/C=C/c1ccc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.58
LMNA P02545 7/20 0.58
RAB9A P51151 7/20 0.58
NPC1 O15118 6/20 0.58
PKM P14618 3/20 0.58
MAPT P10636 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ECE2 P0DPD6 2/20 0.56
HTT P42858 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYSLTR2 Q9NS75 1/20 0.55
CYSLTR1 Q9Y271 1/20 0.55
HDAC6 Q9UBN7 2/20 0.53
HDAC3 O15379 1/20 0.53

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
SCHEMBL372181 1.00 KDM4E (0.58) KDM4ELMNARAB9ANPC1PKM
SCHEMBL28443608 0.82 RAB9A (0.80) KDM4ELMNARAB9ANPC1PKM
SCHEMBL5093237 0.81 KDM4E (0.58) KDM4ELMNARAB9ANPC1PKM
SCHEMBL5093246 0.81 KDM4E (0.58) KDM4ELMNARAB9ANPC1PKM
SCHEMBL1163276 0.81 NPC1 (0.56) KDM4ELMNARAB9ANPC1PKM
SCHEMBL18050167 0.80 KDM4E (0.49) KDM4ELMNARAB9ANPC1PKM
SCHEMBL18050160 0.80 KDM4E (0.49) KDM4ELMNARAB9ANPC1PKM
Hydrochloric Acid SCHEMBL9872403 0.80 KDM4E (0.56) KDM4ELMNARAB9ANPC1PKM
Hydrochloric Acid SCHEMBL7283431 0.80 KDM4E (0.56) KDM4ELMNARAB9ANPC1PKM
SCHEMBL21038093 0.79 KDM4E (0.54) KDM4ELMNARAB9ANPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342026-B2 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2008-03-11 US disclosed
EP-1351940-B1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INST RECH DEVELOPPEMENT IRD (FR) 2007-07-25 EP disclosed
US-7067530-B2 Compounds, their preparation and use NOVO NORDISK A/S (DK) 2006-06-27 US disclosed
US-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (FR) 2005-07-28 US disclosed
EP-1351940-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS Institut de Recherche pour le Développement ( IRD) (FR) 2003-10-15 EP disclosed
US-20030109560-A1 Novel compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC 2003-06-12 US disclosed
WO-2002057238-A1 SUBSTITUTED QUINOLINES FOR THE TREATMENT OF PROTOZOAN AND RETROVIRUS CO-INFECTIONS INSTITUT DE RECHERCHE POUR LE DEVELOPPEMENT (IRD) (FR) 2002-07-25 WO disclosed
US-5334597-A Anti-asthmatic, antiallergic, antiinflammatory, cytoprotective treats angina, cerebral spasm, nephritis, hepatitis, uveitis, endotoxemia and allograft rejection MERCK FROSST CANADA, INC. (CA) 1994-08-02 US disclosed
EP-0538000-A1 Indole and indazole carbamates as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-04-21 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 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 (2 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-20050165052-A1 Substituted quinolines for the treatment of protozoa and retrovirus co-infections C1S, C5, NSFL1C KDM4E 3607/4885LMNA 1106/4885RAB9A 1036/4885
US-20030109560-A1 Novel compounds, their preparation and use PPARG, PPARD, PPARA KDM4E 3687/4885LMNA 1817/4885RAB9A 4504/4885

“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.