SCHEMBL1759137

SCHEMBL1759137

O=C(c1ccc([N+](=O)[O-])cn1)N1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
LMNA P02545 4/20 0.56
ALOX12 P18054 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 2/20 0.52
DPP4 P27487 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.50
GAA P10253 1/20 0.50
PTK2 Q05397 1/20 0.48
AR P10275 1/20 0.46

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
SCHEMBL14784203 0.98 MAPT (0.55) ALDH1A1MAPTLMNAALOX12NPSR1
SCHEMBL29414171 0.86 SMN1; SMN2 (0.63) ALDH1A1MAPTLMNAHPGDNPC1
SCHEMBL22738773 0.81 MEN1 (0.63) ALDH1A1MAPTLMNANPSR1KMT2A
SCHEMBL1860009 0.76 NPC1 (0.52) ALDH1A1MAPTPOLBHPGDNPC1
SCHEMBL1590712 0.76 KMT2A (0.83) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL16408483 0.75 TDP1 (0.63) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL1759359 0.75 L3MBTL1 (0.50) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL16546002 0.75 TDP1 (0.63) ALDH1A1MAPTHPGDNPC1RAB9A
SCHEMBL1758990 0.75 L3MBTL1 (0.50) ALDH1A1MAPTHPGDSMN1; SMN2GAA
SCHEMBL1872354 0.75 ALDH1A1 (0.59) ALDH1A1MAPTHPGDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2947082-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS Pfizer Inc (US) 2015-11-25 EP disclosed
US-9139587-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2015-09-22 US disclosed
EP-2676958-B1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-01 EP disclosed
CN-102695708-B N1-pyrazolospiroketone acetyl-coA carboxylase inhibitors PFIZER INC. (US) 2014-10-15 CN disclosed
US-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2014-09-25 US disclosed
US-8802690-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2014-08-12 US disclosed
EP-2676958-A1 N1-Pyrazolospiroketone acetyl-CoA carboxylase inhibitors Pfizer Inc. (US) 2013-12-25 EP disclosed
EP-2499139-B1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER (US) 2013-12-11 EP disclosed
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS PFIZER INC. 2013-11-07 US disclosed
US-8507681-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2013-08-13 US disclosed
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC. (US) 2013-01-31 US disclosed
US-8288405-B2 N1-pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-10-16 US disclosed
EP-2499139-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
EP-2499140-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Inc. (US) 2012-09-19 EP disclosed
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2012-09-06 US disclosed
WO-2011058473-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
WO-2011058474-A1 N1-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER INC. (US) 2011-05-19 WO disclosed
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER INC 2011-05-12 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 (5 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-20140288111-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB ALDH1A1 164/4885MAPT 1206/4885LMNA 2437/4885
US-20110111046-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ALDH1A1 164/4885MAPT 1206/4885LMNA 2437/4885
US-20130296319-A1 N1-PYRAZOLOSPIROKETONE ACETYL-CoA CARBOXYLASE INHIBITORS ACACA, PC, ACACB ALDH1A1 161/4885MAPT 1231/4885LMNA 2533/4885
US-20130030181-A1 N1-Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB ALDH1A1 164/4885MAPT 1206/4885LMNA 2437/4885
US-20120225900-A1 N2-PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS ACACA, PC, ACACB ALDH1A1 259/4885MAPT 1278/4885LMNA 2624/4885

“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.