SCHEMBL2744804

SCHEMBL2744804

COC(COc1ccc2ccccc2n1)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCF1 P14598 3/20 0.38
TLR8 Q9NR97 2/20 0.38
GPBAR1 Q8TDU6 1/20 0.37
PDE10A Q9Y233 1/20 0.37
ADAMTS4 O75173 1/20 0.37
HDAC1 Q13547 1/20 0.36

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
SCHEMBL10424807 0.84 MEN1 (0.47) MEN1MAPTKMT2ACYP1A2CYSLTR2
SCHEMBL2608869 0.83 TLR8 (0.54) MEN1MAPTKMT2ACYP1A2CYSLTR2
SCHEMBL22534222 0.82 CYP11B1 (0.37) ADAMTS4BACE1
SCHEMBL29935557 0.82 CYP11B1 (0.37) ADAMTS4BACE1
SCHEMBL16493515 0.80 MAPT (0.49) MEN1MAPTKMT2ACYP1A2CYSLTR2
SCHEMBL29935497 0.78 HTR3A (0.38) MEN1MAPTKMT2ACYP1A2ALDH1A1
SCHEMBL887723 0.77 MAPT (0.56) MEN1MAPTKMT2ACYP1A2CYSLTR2
SCHEMBL29935364 0.76 MAPT (0.38) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL22534243 0.76 MAPT (0.38) MAPTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL11048319 0.75 CYP1A2 (0.50) MEN1MAPTKMT2ACYP1A2CYSLTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111793025-B Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof 中国科学院上海药物研究所 2022-09-23 CN disclosed
US-20220177515-A1 METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH THE ZOLINIUM AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-06-09 US disclosed
EP-3954692-A1 METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2022-02-16 EP disclosed
CN-111793025-A Method for modifying amino in molecule by oxazoline quaternary ammonium salt and application thereof 中国科学院上海药物研究所 2020-10-20 CN disclosed
WO-2020207279-A1 METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH OXAZOLINE QUATERNARY AMMONIUM SALT AND USE THEREOF 中国科学院上海药物研究所 2020-10-15 WO disclosed
US-20150080569-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-03-19 US disclosed
US-8809266-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-08-19 US disclosed
US-20130274439-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2013-10-17 US disclosed
US-8420597-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-04-16 US disclosed
US-20130053577-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-02-28 US disclosed
US-8283442-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20120190866-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-07-26 US disclosed
US-8178491-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-05-15 US disclosed
EP-2162431-A2 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2010-03-17 EP disclosed
US-20090257978-A1 Antiviral coumpounds GILEAD SCIENCES, INC. (US) 2009-10-15 US disclosed
WO-2009005676-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2009-01-08 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 (6 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-20130274439-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885MAPT 2923/4885KMT2A 3803/4885
US-20090257978-A1 Antiviral coumpounds MAVS, ZC3HAV1, EIF2AK2 MEN1 4308/4885MAPT 3331/4885KMT2A 4346/4885
US-20130053577-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885MAPT 2923/4885KMT2A 3803/4885
US-20120190866-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885MAPT 2923/4885KMT2A 3803/4885
US-20220177515-A1 METHOD FOR MODIFYING AMINO GROUP IN MOLECULE WITH THE ZOLINIUM AND USE THEREOF PTMS, SLC1A5, ANPEP MEN1 49/4885MAPT 4019/4885KMT2A 833/4885
US-20150080569-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 MEN1 4292/4885MAPT 2923/4885KMT2A 3803/4885

“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.