SCHEMBL3486787

SCHEMBL3486787

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

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
HCAR3 P49019 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.43
APP P05067 1/20 0.42
FSCN1 Q16658 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
VCAM1 P19320 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
PDE7A Q13946 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL3486789 1.00 TSHR (0.50) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL3487466 0.88 HCAR3 (0.51) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL3487462 0.88 HCAR3 (0.51) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL16753005 0.84 MAPK1 (0.46) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL8936725 0.82 MAPK1 (0.45) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL3487628 0.82 MAPT (0.45) MAPK1ALDH1A1LMNAPOLBMAPT
SCHEMBL3199616 0.82 MAPK1 (0.58) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL16752924 0.81 L3MBTL1 (0.48) TSHRMAPK1HCAR3ALDH1A1SMN1; SMN2
SCHEMBL20521800 0.81 ATM (0.50) TSHRHCAR3ALDH1A1MAPTL3MBTL1
SCHEMBL3247412 0.80 MAPK1 (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3802549-B1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2023-03-01 EP disclosed
US-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2021-08-05 US disclosed
EP-3802549-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2021-04-14 EP disclosed
WO-2019228940-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2019-12-05 WO disclosed
EP-2404918-B1 PYRIDINE DERIVATIVE AS PPARY INHIBITOR DAIICHI SANKYO CO LTD (JP) 2016-11-30 EP disclosed
EP-2138484-B1 FUSED BICYCLIC HETEROARYL DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2015-08-26 EP disclosed
US-8946264-B2 Pyridine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-03 US disclosed
US-20130045994-A1 PYRIDINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-21 US disclosed
US-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-07 US disclosed
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-25 US disclosed
EP-2138484-A1 FUSED BICYCLIC HETEROARYL DERIVATIVES Daiichi Sankyo Company, Limited (JP) 2009-12-30 EP 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 (4 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-20130035337-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA TSHR 276/4885MAPK1 1347/4885HCAR3 74/4885
US-20210238197-A1 NOVEL OXOQUINOLIZINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION O60361, ARG1, QDPR TSHR 2425/4885MAPK1 1137/4885HCAR3 914/4885
US-20100048564-A1 FUSED BICYCLIC HETEROARYL DERIVATIVE PPARG, GPR119, PPARA TSHR 276/4885MAPK1 1347/4885HCAR3 74/4885
US-20130045994-A1 PYRIDINE DERIVATIVE PPARD, PPARG, PPARA TSHR 195/4885MAPK1 490/4885HCAR3 281/4885

“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.