SCHEMBL5322008

SCHEMBL5322008

CN(C)c1ccc(C(N)C(N)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
GAA P10253 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 2/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL1304701 0.84 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1HPGDMAPT
SCHEMBL2136374 0.84 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1HPGDMAPT
SCHEMBL2137996 0.84 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1HPGDMAPT
SCHEMBL8430520 0.84 ALDH1A1 (0.51) ALDH1A1GAAL3MBTL1HPGDMAPT
SCHEMBL11348649 0.81 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1HPGDMAPT
SCHEMBL13957509 0.79 SLC1A3 (0.47) ALDH1A1KMT2AMEN1TDP1NR1I2
SCHEMBL6046193 0.76 TDP1 (0.47) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL304041 0.76 TDP1 (0.47) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL16826249 0.76 TDP1 (0.47) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL8812406 0.76 ALDH1A1 (0.59) ALDH1A1GAAL3MBTL1HPGDMAPT

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
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-6939854-B2 Peptide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-09-06 US disclosed
US-6846806-B2 Peptide inhibitors of Hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-25 US disclosed
US-6774212-B2 FOR THERAPY OF VIRAL INFECTION OR AS AN ASSAY STANDARD OR REAGENT BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-08-10 US disclosed
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease PRIESTLEY E SCOTT (DE) 2004-07-29 US disclosed
US-6699855-B2 PYRROLOPYRAZINONES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2004-03-02 US disclosed
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein BRISTOL-MYERS SQUIBB COMPANY (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2002-11-28 US disclosed
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-05 US disclosed
US-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-05-30 US disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 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 (4 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-20020065248-A1 Inhibitors of hepatitis C virus NS3 protease TMPRSS15, CTRC, CPN1 ALDH1A1 1353/4885GAA 1220/4885L3MBTL1 2982/4885
US-20020177725-A1 Peptide inhibitors of hepatitis C virus NS3 protein VIP, PRSS1, SERPINB1 ALDH1A1 2283/4885GAA 1572/4885L3MBTL1 2684/4885
US-20040147483-A1 Peptide inhibitors of hepatitis C virus NS3 protease VIP, PRSS1, CTSC ALDH1A1 1883/4885GAA 948/4885L3MBTL1 2538/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 ALDH1A1 697/4885GAA 229/4885L3MBTL1 2496/4885

“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.