SCHEMBL2711047

SCHEMBL2711047

CC(C)C(=O)Nc1cc(N2CCOCC2)cc([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.44
MEN1 O00255 2/20 0.44
MAPK1 P28482 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
AKR1C3 P42330 1/20 0.43
RAB9A P51151 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
SCHEMBL2711197 0.86 MAPT (0.53) MAPTNPC1POLBGAAMEN1
SCHEMBL27608310 0.81 MAPT (0.50) MAPTALDH1A1NPSR1NPC1POLB
SCHEMBL2710902 0.80 MAPT (0.51) MAPTALDH1A1NPSR1GAARECQL
SCHEMBL3090261 0.79 KMT2A (0.56) MAPTALDH1A1POLBGAAMEN1
SCHEMBL11643606 0.79 KMT2A (0.59) MAPTALDH1A1POLBGAAMEN1
SCHEMBL2712653 0.77 MAPT (0.54) MAPTALDH1A1NPSR1POLBMEN1
SCHEMBL1172369 0.77 MAPT (0.54) MAPTALDH1A1NPSR1POLBMEN1
SCHEMBL19392315 0.76 MAPT (0.77) MAPTALDH1A1NPSR1NPC1POLB
SCHEMBL27883230 0.75 MAPT (0.64) MAPTALDH1A1NPC1POLBRECQL
Formaldehyde SCHEMBL19406154 0.74 MAPT (0.51) MAPTALDH1A1NPSR1POLBMEN1

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
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
EP-2445886-B1 4-AMINOQUINOLINE DERIVATIVES AS PI3K INHIBITORS AMGEN INC (US) 2016-03-30 EP disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
US-8940724-B2 Quinoline derivitives and their uses AMGEN INC. (US) 2015-01-27 US disclosed
CN-102625799-A Heterocyclic compounds and their uses AMGEN INC 2012-08-01 CN disclosed
EP-2445886-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen, Inc (US) 2012-05-02 EP disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151791-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 MAPT 3291/4885ALDH1A1 4025/4885NPSR1 3073/4885

“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.