SCHEMBL341056

SCHEMBL341056

CC(=O)c1cc(N(C)C)ccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
NPSR1 Q6W5P4 2/20 0.57
PTGS2 P35354 4/20 0.52
LMNA P02545 2/20 0.48
KMT2A Q03164 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BACE1 P56817 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HCAR3 P49019 1/20 0.43
ACHE P22303 3/20 0.43
BCHE P06276 2/20 0.42
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
DTYMK P23919 1/20 0.41
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41

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
SCHEMBL31338514 0.87 MAPT (0.60) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL10744362 0.87 MAPT (0.61) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL297769 0.87 MAPT (0.60) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL22897801 0.85 MAPT (0.58) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL27248589 0.85 MAPT (0.58) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL2061821 0.83 MAPT (0.55) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL1110762 0.83 MAPT (0.55) MAPTNPSR1PTGS2LMNAKMT2A
SCHEMBL25410942 0.80 RAB9A (0.53) MAPTNPSR1PTGS2LMNAMAPK1
SCHEMBL31366512 0.80 RAB9A (0.53) MAPTNPSR1PTGS2LMNAMAPK1
SCHEMBL31361989 0.78 MAPT (0.72) MAPTNPSR1PTGS2LMNAMAPK1

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
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
EP-2593435-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2013-05-22 EP disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
WO-2012009519-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES EFFICIENT PHARMA MANAGEMENT CORP. (TW) 2012-01-19 WO disclosed
US-4656267-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1987-04-07 US disclosed
US-4555571-A Substituted 2(1H)-quinazolinone-1-alkanoic acids and esters ORTHO PHARMACEUTICAL CORPORATION (US) 1985-11-26 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 (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-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 MAPT 4760/4885NPSR1 3015/4885PTGS2 1073/4885

“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.