SCHEMBL5765504

SCHEMBL5765504

Nc1ccc(OCC2CC2)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.52
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
LMNA P02545 2/20 0.49
TLR4 O00206 2/20 0.48
TLR2 O60603 2/20 0.48
TDP1 Q9NUW8 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.45
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP2 Q9UGN5 1/20 0.44
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.40

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
SCHEMBL10268068 0.93 TLR4 (0.51) SIGMAR1MAPTALDH1A1LMNATLR4
SCHEMBL13836687 0.86 SIGMAR1 (0.52) SIGMAR1MAPTALDH1A1LMNATLR4
SCHEMBL215401 0.85 SIGMAR1 (0.48) SIGMAR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL3639699 0.83 ALDH1A1 (0.50) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL3639695 0.83 ALDH1A1 (0.50) MAPTALDH1A1LMNATDP1CYP3A4
SCHEMBL9112139 0.82 SIGMAR1 (0.49) SIGMAR1MAPTALDH1A1TLR4TLR2
SCHEMBL2552169 0.82 SIGMAR1 (0.49) SIGMAR1MAPTALDH1A1LMNATLR4
SCHEMBL27038419 0.82 SIGMAR1 (0.49) SIGMAR1MAPTALDH1A1LMNATLR4
SCHEMBL30140325 0.82 SIGMAR1 (0.49) SIGMAR1MAPTALDH1A1TLR4TLR2
SCHEMBL11420051 0.81 MAPT (0.62) MAPTALDH1A1LMNATDP1CYP3A4

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-2649062-B1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) TAKEDA PHARMACEUTICAL (JP) 2015-04-08 EP disclosed
US-8729102-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-20 US disclosed
EP-2649062-A1 BICYCLIC COMPOUNDS AS INHIBITORS OF ACETYL-COA CARBOXYLASE (ACC) Takeda Pharmaceutical Company Limited (JP) 2013-10-16 EP disclosed
WO-2012074126-A9 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-06 WO disclosed
US-20120142714-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 US disclosed
WO-2012074126-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-06-07 WO disclosed
US-7019147-B1 Benzimidazole derivatives useful as antiproliferative agents PFIZER INC. (US) 2006-03-28 US disclosed
EP-1235825-B1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PROD INC (US) 2006-01-25 EP disclosed
EP-1235825-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS Pfizer Products Inc. (US) 2002-09-04 EP disclosed
WO-2001040217-A1 NOVEL BENZOIMIDAZOLE DERIVATIVES USEFUL AS ANTIPROLIFERATIVE AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 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-20120142714-A1 BICYCLIC COMPOUND ACACA, ACACB, FABP4 SIGMAR1 4230/4885MAPT 3737/4885ALDH1A1 172/4885

“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.