SCHEMBL1671079

SCHEMBL1671079

COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.67
ALDH1A1 P00352 5/20 0.63
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
GFER P55789 1/20 0.63
HSD17B10 Q99714 1/20 0.63
KMT2A Q03164 7/20 0.61
MEN1 O00255 6/20 0.61
NPSR1 Q6W5P4 2/20 0.61
NPC1 O15118 1/20 0.61
HSP90AA1 P07900 1/20 0.61
PKM P14618 1/20 0.61
PAX8 Q06710 1/20 0.61
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
HTT P42858 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HPGD P15428 1/20 0.55
ALOX5 P09917 1/20 0.54

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
SCHEMBL18147180 0.88 POLB (0.67) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1671461 0.83 KMT2A (0.60) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL728206 0.83 MEN1 (0.57) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL28527153 0.82 MAPT (0.63) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1671809 0.82 PTGES (0.52) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL16448830 0.81 ALDH1A1 (0.72) POLBALDH1A1MAPTSMN1; SMN2GFER
SCHEMBL21545588 0.81 POLB (0.60) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL29151313 0.81 NPC1 (0.62) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1671453 0.81 MAPT (0.63) POLBALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1531324 0.80 POLB (0.60) POLBALDH1A1MAPTSMN1; SMN2KMT2A

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 5 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-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 POLB 2618/4885ALDH1A1 228/4885MAPT 4476/4885

“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.