SCHEMBL1671809

SCHEMBL1671809

O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1OCC(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 3/20 0.48
AKR1C3 P42330 1/20 0.48
MAPT P10636 7/20 0.47
NPC1 O15118 2/20 0.47
PKM P14618 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSP90AA1 P07900 1/20 0.47
PAX8 Q06710 1/20 0.47
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
PPARG P37231 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL12799875 0.89 POLB (0.50) PTGESMEN1KMT2APOLBALDH1A1
SCHEMBL1671552 0.85 KMT2A (0.48) PTGESMEN1KMT2APOLBALDH1A1
SCHEMBL1671472 0.83 MAPT (0.49) PTGESMEN1KMT2APOLBMAPT
SCHEMBL1671693 0.82 PTGES (0.55) PTGESMEN1KMT2APOLBALDH1A1
SCHEMBL1671079 0.82 POLB (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL1671069 0.81 CTSV (0.47) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL1725574 0.81 PTGES (0.47) PTGESMEN1KMT2AALDH1A1MAPT
SCHEMBL12800021 0.80 KMT2A (0.45) MEN1KMT2APOLBALDH1A1AKR1C3
SCHEMBL1671453 0.78 MAPT (0.63) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL11970146 0.78 PTGES (0.42) PTGESMEN1KMT2APOLBMAPT

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
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
US-8951999-B2 Compounds OREXO AB (SE) 2015-02-10 US disclosed
EP-2491007-B1 Inhibitors of the microsomal prostaglandin E2 synthase-1 BOEHRINGER INGELHEIM INT (DE) 2013-09-25 EP disclosed
EP-2491007-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 Boehringer Ingelheim International GmbH (DE) 2012-08-29 EP disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
US-20110263556-A1 New Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-27 US disclosed
WO-2011048004-A1 INHIBITORS OF THE MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 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-20110263556-A1 New Compounds PTGES, PTGER1, PTGS1 PTGES 1/4885MEN1 4361/4885KMT2A 2631/4885

“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.