SCHEMBL1300338

SCHEMBL1300338

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(Br)c(OC)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
PLIN1 O60240 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PAX8 Q06710 1/20 0.39
ALDH1A1 P00352 5/20 0.39
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP11B1 P15538 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
SCHEMBL1300340 1.00 LMNA (0.41) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4409246 0.89 LMNA (0.39) LMNAMAPTMEN1KMT2APOLB
SCHEMBL4409249 0.89 LMNA (0.39) LMNAMAPTMEN1KMT2APOLB
SCHEMBL16461663 0.88 MAPT (0.40) MAPTHPGDSMN1; SMN2PAX8ALDH1A1
SCHEMBL16461664 0.88 MAPT (0.40) MAPTHPGDSMN1; SMN2PAX8ALDH1A1
SCHEMBL12108808 0.88 CA1 (0.38) LMNAMAPTMEN1KMT2APOLB
SCHEMBL16462013 0.85 KMT2A (0.41) LMNAMAPTMEN1KMT2APOLB
SCHEMBL16462011 0.85 KMT2A (0.41) LMNAMAPTMEN1KMT2APOLB
SCHEMBL2181651 0.84 CYP11B1 (0.41) MEN1KMT2AHPGDL3MBTL1PAX8
SCHEMBL2181660 0.84 CYP11B1 (0.41) MEN1KMT2AHPGDL3MBTL1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906529-B9 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA KS (CZ) 2017-03-15 EP disclosed
EP-2906529-B1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA KS (CZ) 2016-11-23 EP disclosed
EP-2906529-A1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR Zentiva K.S. (CZ) 2015-08-19 EP disclosed
WO-2014056464-A1 A NEW PRODUCTION METHOD AND NEW INTERMEDIATES OF SYNTHESIS OF ELVITEGRAVIR ZENTIVA, K.S. (CZ) 2014-04-17 WO disclosed
US-20130345462-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND JAPAN TOBACCO INC. (JP) 2013-12-26 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-8420821-B2 Process for production of 4-oxoquinoline compound JAPAN TOBACCO INC. (JP) 2013-04-16 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND SHIONOGI & CO., LTD. (JP) 2009-12-24 US disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 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 (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-20130345462-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 LMNA 2635/4885MAPT 4765/4885MEN1 3040/4885
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LMNA 1312/4885MAPT 3259/4885MEN1 4555/4885
US-20090318702-A1 PROCESS FOR PRODUCTION OF 4-OXOQUINOLINE COMPOUND CYP4X1, CYP3A4, CYP3A7 LMNA 2635/4885MAPT 4765/4885MEN1 3040/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP LMNA 1312/4885MAPT 3259/4885MEN1 4555/4885

“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.