SCHEMBL528904

SCHEMBL528904

CN(C(=O)O)C1CCN(c2ccc([N+](=O)[O-])cn2)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 4/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPY2R P49146 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ATM Q13315 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 2/20 0.48
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
CA12 O43570 2/20 0.44

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
SCHEMBL528903 1.00 MAPT (0.59) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL529399 0.93 MAPT (0.56) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL529400 0.93 MAPT (0.56) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL24267753 0.87 MAPT (0.66) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL595593 0.85 MAPT (0.53) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL1749643 0.82 MAPT (0.53) MAPTPOLBALDH1A1LMNAMEN1
SCHEMBL1749642 0.82 MAPT (0.53) MAPTPOLBALDH1A1LMNAMEN1
SCHEMBL4477344 0.82 ALDH1A1 (0.54) ALDH1A1LMNANPSR1CYP1A2MAP4K4
SCHEMBL4477340 0.82 ALDH1A1 (0.54) ALDH1A1LMNANPSR1CYP1A2MAP4K4
SCHEMBL3440255 0.82 MAPT (0.73) MAPTL3MBTL1POLBALDH1A1LMNA

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-2597955-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-06-05 EP disclosed
US-8415386-B2 Azolopyrrolone melanin concentrating hormone receptor-1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-09 US disclosed
WO-2012016082-A1 QUINOLINE DERIVATIVES AND MELK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2012-02-02 WO disclosed
WO-2010047956-A9 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-10-06 WO disclosed
US-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-08-11 US disclosed
EP-2346873-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS Bristol-Myers Squibb Company (US) 2011-07-27 EP disclosed
WO-2010047956-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-29 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-20110195934-A1 AZOLOPYRROLONE MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS MC1R, MCHR1, MCHR2 MAPT 2870/4885L3MBTL1 3222/4885POLB 4793/4885

“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.