SCHEMBL346053

SCHEMBL346053

CCOc1cc(C=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.64
MEN1 O00255 6/20 0.64
MAPT P10636 6/20 0.64
ALDH1A1 P00352 3/20 0.64
KDM4C Q9H3R0 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
XDH P47989 1/20 0.58
SIRT1 Q96EB6 1/20 0.56
CHIA Q9BZP6 1/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 1/20 0.53
CASP6 P55212 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
EGFR P00533 1/20 0.48
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL1515878 0.89 XDH (0.55) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL1515748 0.85 XDH (0.54) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL359433 0.84 XDH (0.56) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL28497425 0.84 ALDH1A1 (0.46) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL344482 0.83 EGFR (0.66) KMT2AMEN1MAPTALDH1A1XDH
SCHEMBL29672623 0.83 EGFR (0.66) KMT2AMEN1MAPTALDH1A1XDH
SCHEMBL374530 0.83 EGFR (0.66) KMT2AMEN1MAPTALDH1A1XDH
SCHEMBL1515795 0.82 XDH (0.51) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL1748385 0.82 ALDH1A1 (0.48) KMT2AMEN1MAPTALDH1A1KDM4C
SCHEMBL1515912 0.82 MAPT (0.45) KMT2AMEN1MAPTALDH1A1KDM4C

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782559-B1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMAE OY (FI) 1999-01-13 EP claimed
US-5710343-A Method for the preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION-YHTYMA OY (FI) 1998-01-20 US claimed
EP-0782559-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMÄ OY (FI) 1997-07-09 EP claimed
WO-1996009274-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE Orion-Yhtymä Oy (FI) 1996-03-28 WO claimed
CN-108440340-B Method for preparing entacapone 北京伊斯康科技有限公司 2022-08-26 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-9283213-B2 Dihydropyridin-2(1H)-one compounds as S-nitrosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists NIVALIS THERAPEUTICS, INC. (US) 2016-03-15 US disclosed
EP-2592934-B1 NOVEL DIHYDROPYRIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS AND NEUROKININ-3 RECEPTOR ANTAGONISTS NIVALIS THERAPEUTICS INC (US) 2015-08-26 EP 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-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists NIVALIS THERAPEUTICS, INC. 2015-06-11 US disclosed
US-8946434-B2 Dihydropyridin-2(1H)-one compound as S-nirtosoglutathione reductase inhibitors and neurokinin-3 receptor antagonists N30 PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
EP-0782559-B1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMAE OY (FI) 1999-01-13 EP disclosed
US-5710343-A Method for the preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION-YHTYMA OY (FI) 1998-01-20 US disclosed
US-5710343-A Method for the preparation of 3,4-dihydroxy-5-nitrobenzaldehyde ORION-YHTYMA OY (FI) 1998-01-20 US disclosed
CN-1164852-A New preparation method of 3, 4-dihydroxy-5-nitrobenzaldehyde ORION YHTYMAE OY (FI) 1997-11-12 CN disclosed
EP-0782559-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMÄ OY (FI) 1997-07-09 EP disclosed
EP-0782559-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE ORIONYHTYMÄ OY (FI) 1997-07-09 EP disclosed
WO-1996009274-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE Orion-Yhtymä Oy (FI) 1996-03-28 WO disclosed
WO-1996009274-A1 NEW METHOD FOR THE PREPARATION OF 3,4-DIHYDROXY-5-NITROBENZALDEHYDE Orion-Yhtymä Oy (FI) 1996-03-28 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 (2 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-20150157616-A1 Novel Dihydropyridin-2(1H)-One Compounds as S-Nitrosoglutathione Reductase Inhibitors and Neurokinin-3 Receptor Antagonists QDPR, TACR1, TACR2 KMT2A 2740/4885MEN1 2258/4885MAPT 4294/4885
US-20150224107-A1 Novel Dihydropyrimidin-2(1H)-one Compounds as S-Nitrosoglutathione Reductase Inhibitors QDPR, GSR, CBR1 KMT2A 3962/4885MEN1 3816/4885MAPT 3445/4885

“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.