SCHEMBL6717024

SCHEMBL6717024

CC[CH]c1nc2ccccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.56
KDM4E B2RXH2 7/20 0.56
ALDH1A1 P00352 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 4/20 0.56
HPGD P15428 4/20 0.56
KMT2A Q03164 4/20 0.56
PKM P14618 3/20 0.56
HSP90AA1 P07900 1/20 0.56
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.54
ADAMTS5 Q9UNA0 1/20 0.52
LMNA P02545 4/20 0.50
GAA P10253 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NFKB1 P19838 2/20 0.50
HTT P42858 2/20 0.50
NFKB2 Q00653 2/20 0.50

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
SCHEMBL7408425 0.87 NPC1 (0.51) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL13481227 0.84 ALDH1A1 (0.60) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL8150859 0.82 DAGLA (0.54) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL7528716 0.81 ALDH1A1 (0.53) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL5627161 0.80 RAB9A (0.56) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL291450 0.80 ALDH1A1 (0.59) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL29539476 0.79 ALDH1A1 (0.81) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1086985 0.79 ALDH1A1 (0.81) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL19119423 0.79 ALDH1A1 (0.63) DDAH1KDM4EALDH1A1NPC1RAB9A
SCHEMBL1086983 0.79 ALDH1A1 (0.81) DDAH1KDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 EP disclosed
EP-1167375-A1 ERYTHROMYCIN DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2002-01-02 EP disclosed
US-5616586-A Tricyclic quinoxalinediones SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-04-01 US disclosed
WO-1996040141-A1 4,5-BRIDGED QUINOXALINEDIONES AND QUINOLONES AND THE USE THEREOF AS EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
EP-0642508-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1995-03-15 EP disclosed
WO-1993008188-A1 TRICYCLIC QUINOXALINEDIONES AS GLUTAMATE RECEPTOR ANTAGONISTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1993-04-29 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 DDAH1 1363/4885KDM4E 1568/4885ALDH1A1 3946/4885

“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.