SCHEMBL561849

SCHEMBL561849

NC(=O)C[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
MAPT P10636 1/20 0.58
KDM4C Q9H3R0 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CTSD P07339 1/20 0.52
ITGB2 P05107 2/20 0.51
ICAM1 P05362 2/20 0.51
ITGAL P20701 2/20 0.51
HDAC1 Q13547 2/20 0.49
MGAM O43451 1/20 0.49
GRN P28799 1/20 0.48
SORT1 Q99523 1/20 0.48
C3AR1 Q16581 1/20 0.48
HPGD P15428 2/20 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
SCHEMBL6444839 1.00 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
Hydrochloric Acid SCHEMBL4862500 0.99 ALDH1A1 (0.57) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL30051464 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL6976264 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL9272265 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL7357698 0.91 ALDH1A1 (0.60) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL8667829 0.90 ALDH1A1 (0.56) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL9230708 0.89 KDM4C (0.59) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL4891798 0.84 ALDH1A1 (0.58) ALDH1A1GAAMAPTKDM4CHDAC8
SCHEMBL7339828 0.83 GRN (0.70) ALDH1A1MAPTRAB9ASMN1; SMN2ITGB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006134612-A1 A PROCESS FOR THE PREPARATION OF SAQUINAVIR USING NOVEL INTERMEDIATE HETERO DRUGS LIMITED (IN) 2006-12-21 WO claimed
EP-0847994-B1 Process for the preparation of mixed anhydrides HOFFMANN LA ROCHE (CH) 2003-04-09 EP claimed
US-5914404-A Process for the preparation of quinargine HOFFMANN-LA ROCHE INC. (US) 1999-06-22 US claimed
EP-0611774-B1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound HOFFMANN LA ROCHE (CH) 1999-05-26 EP claimed
EP-0847994-A1 Process for the preparation of mixed anhydrides F. HOFFMANN-LA ROCHE AG (CH) 1998-06-17 EP claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
EP-0823424-A1 Process for the preparation of quinargine F. HOFFMANN-LA ROCHE AG (CH) 1998-02-11 EP claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5536816-A Process for producing amides using catalytic amounts of an N-hydroxy compound HOFFMANN-LA ROCHE INC. (US) 1996-07-16 US claimed
EP-0611774-A1 Production of amides and peptides without racemization in the presence of catalytic amounts of a N-hydroxy-compound F. HOFFMANN-LA ROCHE AG (CH) 1994-08-24 EP claimed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
EP-3192794-A1 SUSTAINED HIV PROTEASE INHIBITOR Shionogi & Co., Ltd. (JP) 2017-07-19 EP disclosed
US-9096576-B2 Compounds and methods for treatment of systemic lupus erythematosus THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2015-08-04 US disclosed
US-20140309255-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2014-10-16 US disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
WO-1993001166-A1 4-AMINO-3-HYDROXYCARBOXYLIC ACID DERIVATIVES SANDOZ LTD. (CH) 1993-01-21 WO disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
EP-0432694-A2 Aminoalcohols F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 EP disclosed
EP-0432695-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-06-19 EP 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 ALDH1A1 4195/4885GAA 1507/4885MAPT 4683/4885
US-20140309255-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SYSTEMIC LUPUS ERYTHEMATOSUS SSB, DNASE1L3, SNRPD2 ALDH1A1 3364/4885GAA 1281/4885MAPT 4658/4885

“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.