SCHEMBL904249

SCHEMBL904249

COc1cccc(CC(=O)N(C)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.57
CTBP2 P56545 1/20 0.55
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
CYP1A2 P05177 1/20 0.49
AOC3 Q16853 1/20 0.49
HSD17B2 P37059 1/20 0.48
POLB P06746 1/20 0.48
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MMP13 P45452 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CCR5 P51681 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL8566605 0.87 SIGMAR1 (0.60) SIGMAR1CTBP2BCHEACHECYP1A2
SCHEMBL12806865 0.84 CTBP2 (0.57) SIGMAR1CTBP2CYP1A2POLBALDH1A1
SCHEMBL1058423 0.84 CTBP2 (0.50) SIGMAR1CTBP2ACHEPOLBLTB4R
SCHEMBL1515860 0.83 LMNA (0.43) SIGMAR1LTB4RLTB4R2HTTSMN1; SMN2
SCHEMBL6584298 0.81 ALOX5 (0.56) CTBP2AOC3ALDH1A1MEN1KMT2A
SCHEMBL6376386 0.81 ALOX5 (0.43) SIGMAR1POLBLTB4RLTB4R2ALDH1A1
SCHEMBL22607856 0.81 IDO1 (0.41) SIGMAR1CYP1A2LTB4RLTB4R2SMN1; SMN2
SCHEMBL1515805 0.81 TAAR1 (0.46) ALDH1A1
SCHEMBL1707313 0.81 TAAR1 (0.46) MEN1KMT2ACCR5
SCHEMBL1708481 0.80 HTT (0.56) SIGMAR1CTBP2POLBALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117924198-A Bioactive compounds and methods thereof 上海科因生物医药科技有限公司 2024-04-26 CN disclosed
US-9283229-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC 2015-08-13 US disclosed
US-9067893-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2015-06-30 US disclosed
US-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-08-21 US disclosed
US-8741915-B2 Dihydropyrimidin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors N30 PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors N30 PHARMACEUTICALS, LLC (US) 2012-08-16 US disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
WO-2012041227-A1 TETRACYCLIC HETEROCYCLE COMPOUNDS FOR TREATING HEPATITIS C VIRAL INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
US-5519022-A α, α dialkylbenzyl derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-05-21 US disclosed
US-5288742-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-02-22 US 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 (3 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-20140235640-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 SIGMAR1 620/4885CTBP2 2971/4885BCHE 3112/4885
US-20120208817-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 SIGMAR1 620/4885CTBP2 2971/4885BCHE 3112/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 SIGMAR1 620/4885CTBP2 2971/4885BCHE 3112/4885

“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.