SCHEMBL1671104

SCHEMBL1671104

O=C(O)c1cc([N+](=O)[O-])cnc1OCC(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.39
HNF4A P41235 1/20 0.39
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
CTSV O60911 3/20 0.37
CTSL P07711 3/20 0.37
TP53 P04637 1/20 0.37
HTT P42858 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
NPC1 O15118 1/20 0.35
TRPA1 O75762 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
Hydrochloric Acid SCHEMBL1671573 0.99 MAPT (0.39) MAPTKMT2AHNF4AMEN1GAA
Hydrochloric Acid SCHEMBL1671572 0.99 MAPT (0.39) MAPTKMT2AHNF4AMEN1GAA
SCHEMBL1671569 0.88 SCN9A (0.34) MAPTKMT2AHNF4AGAAALDH1A1
SCHEMBL3586448 0.82 AKR1B1 (0.47) MAPTKMT2AMEN1GAACTSV
SCHEMBL7247518 0.80 TP53 (0.44) MAPTKMT2AMEN1GAACTSV
SCHEMBL1671069 0.80 CTSV (0.47) MAPTKMT2AHNF4AMEN1GAA
SCHEMBL3318266 0.79 CTSV (0.48) MAPTKMT2AMEN1CTSVCTSL
SCHEMBL6443470 0.78 MAPT (0.43) MAPTKMT2AMEN1GAACTSV
SCHEMBL1671552 0.78 KMT2A (0.48) MAPTKMT2AMEN1HTTALDH1A1
SCHEMBL16448840 0.77 PTGER4 (0.39) MAPTKMT2A

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-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-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
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 MAPT 4476/4885KMT2A 2631/4885HNF4A 1498/4885

“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.