SCHEMBL3934744

SCHEMBL3934744

O=[N+]([O-])c1c[c]c(-c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.51
TSHR P16473 2/20 0.51
NPBWR1 P48145 1/20 0.43
HSD11B1 P28845 1/20 0.43
APEX1 P27695 1/20 0.41
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 6/20 0.40
TDP1 Q9NUW8 2/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HIF1A Q16665 2/20 0.39
VCAM1 P19320 1/20 0.39
MEN1 O00255 1/20 0.38
AURKA O14965 1/20 0.38
NPC1 O15118 1/20 0.38
PDPK1 O15530 1/20 0.38

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
SCHEMBL6184455 0.72 NPBWR1 (0.47) MAPK1TSHRNPBWR1HSD11B1APEX1
SCHEMBL10536470 0.71 TSHR (0.45) MAPK1TSHRHSD11B1TDP1LMNA
SCHEMBL29395323 0.71 NPBWR1 (0.52) MAPK1TSHRNPBWR1APEX1ALDH1A1
SCHEMBL1558206 0.70 HSD11B1 (0.66) MAPK1TSHRHSD11B1ALDH1A1TDP1
SCHEMBL29105507 0.70 GPR35 (0.48) MAPK1TSHRGPR35ALDH1A1TDP1
SCHEMBL29398960 0.69 TSHR (1.00) MAPK1TSHRALDH1A1TDP1LMNA
SCHEMBL487215 0.69 TSHR (1.00) MAPK1TSHRALDH1A1TDP1LMNA
SCHEMBL6125034 0.69 MAPK1 (0.63) MAPK1TSHRALDH1A1TDP1LMNA
SCHEMBL4945314 0.69 HSD17B10 (0.46) MAPK1TSHRALDH1A1TDP1POLB
Fluoride SCHEMBL4646971 0.68 TSHR (0.96) MAPK1TSHRALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US claimed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP claimed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 WO claimed
US-20090186876-A1 Pyridine Analogues II ASTRAZENECA AB (SE) 2009-07-23 US disclosed
EP-2041111-A1 NEW PYRIDINE ANALOGUES AstraZeneca AB (SE) 2009-04-01 EP disclosed
WO-2008002247-A1 NEW PYRIDINE ANALOGUES ASTRAZENECA AB (SE) 2008-01-03 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-20090186876-A1 Pyridine Analogues II P2RY12, P2RY11, P2RY6 MAPK1 443/4885TSHR 1809/4885NPBWR1 2499/4885

“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.