SCHEMBL1623733

SCHEMBL1623733

O=C(CNc1ccccc1)NO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 3/20 0.54
ERCC4 Q92889 3/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.53
PKM P14618 1/20 0.53
HDAC8 Q9BY41 5/20 0.52
HDAC6 Q9UBN7 5/20 0.52
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HDAC1 Q13547 3/20 0.52
HDAC5 Q9UQL6 3/20 0.52
HDAC2 Q92769 3/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC3 O15379 2/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL1561387 0.83 MAPT (0.70) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL2318554 0.81 L3MBTL1 (0.58) ERCC1ERCC4KDM4EALDH1A1LMNA
SCHEMBL28470399 0.81 KMT2A (0.55) ALDH1A1LMNAGAAHDAC8KMT2A
SCHEMBL1174341 0.81 PKM (0.56) ERCC1ERCC4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11858514 0.81 MAPT (0.68) ERCC1ERCC4ALDH1A1LMNAGAA
SCHEMBL26333385 0.81 ERCC1 (0.53) ERCC1ERCC4KDM4EALDH1A1LMNA
SCHEMBL7175504 0.80 PKM (0.54) ERCC1ERCC4KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL3069393 0.79 ABAT (0.53) ERCC1ERCC4KDM4EALDH1A1LMNA
SCHEMBL7785939 0.79 ABAT (0.53) ERCC1ERCC4KDM4EALDH1A1LMNA
SCHEMBL41828 0.79 ABAT (0.53) ERCC1ERCC4KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455734-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES Yu, Ruey J., Dr. (US) 2004-09-15 EP claimed
WO-2003045338-A1 COMPOSITIONS COMPRISING PHENYL-GLYCINE DERIVATIVES YU RUEY J (US) 2003-06-05 WO claimed
EP-0030846-A2 Pharmacologically active peptides, their preparation and pharmaceutical compositions containing them ELI LILLY AND COMPANY (US) 1981-06-24 EP claimed
CN-116200968-B Preparation method of white core cardboard for cigarettes 武汉虹之彩包装印刷有限公司 2024-08-09 CN disclosed
CN-116043610-B Preparation method of cigarette packaging paper 武汉虹之彩包装印刷有限公司 2024-05-10 CN disclosed
CN-116200968-A Preparation method of white core cardboard for cigarettes 武汉虹之彩包装印刷有限公司 2023-06-02 CN disclosed
CN-116043610-A Preparation method of cigarette packaging paper 武汉虹之彩包装印刷有限公司 2023-05-02 CN disclosed
US-7928137-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2011-04-19 US disclosed
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN W 2007-07-05 US disclosed
US-7220781-B2 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2007-05-22 US disclosed
EP-0537255-B1 PROCESS FOR PREPARATION OF BETA-LACTAMS DSM IP ASSETS BV (NL) 2006-02-15 EP disclosed
EP-1009758-B1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2005-06-01 EP disclosed
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-07-22 US disclosed
US-6740682-B2 TREATMENT OF THROMBOTIC DISEASES, ASTHMA, EMPHYSEMA, CIRRHOSIS, ARTHRITIS, CARCINOMA, MELANOMA, RESTENOIS, ATHEROMA, TRAUMA, SHOCK AND REPERFUSION INJURY. TULARIK LIMITED (GB) 2004-05-25 US disclosed
US-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors TULARIK LIMITED (GB) 2002-05-09 US disclosed
EP-1009758-A1 META-BENZAMIDINE DERIVATIVES AS SERINE PROTEASE INHIBITORS Protherics Molecular Design Limited (GB) 2000-06-21 EP disclosed
WO-1999011658-A1 META-BENZAMIDINE DERIVATIVES AS SERIN PROTEASE INHIBITORS PROTEUS MOLECULAR DESIGN LTD. (GB) 1999-03-11 WO disclosed
EP-0537255-A1 PROCESS FOR PREPARATION OF $g(b)-LACTAMS GIST-BROCADES B.V. (NL) 1993-04-21 EP disclosed
WO-1992001061-A1 PROCESS FOR PREPARATION OF β-LACTAMS NOVO NORDISK A/S (DK) 1992-01-23 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 (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-20020055522-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ERCC1 4239/4885ERCC4 3451/4885KDM4E 2085/4885
US-20070155790-A1 Meta-benzamidine derivatives as serine protease inhibitors PEPD, SERPINE1, HPN ERCC1 4674/4885ERCC4 3112/4885KDM4E 1475/4885
US-20040143018-A1 Meta-benzamidine derivatives as serine protease inhibitors SERPINE1, PEPD, PRSS1 ERCC1 4239/4885ERCC4 3451/4885KDM4E 2085/4885

“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.