SCHEMBL112246

SCHEMBL112246

NC(Cc1ccc(O)c2ncccc12)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
L3MBTL1 Q9Y468 6/20 0.59
HTT P42858 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
PAX8 Q06710 1/20 0.56
KDM6B O15054 1/20 0.52
KDM6A O15550 1/20 0.52
TET3 O43151 1/20 0.52
KDM4A O75164 1/20 0.52
KDM4B O94953 1/20 0.52
KDM5C P41229 1/20 0.52
KDM4D Q6B0I6 1/20 0.52
TET2 Q6N021 1/20 0.52
ALKBH5 Q6P6C2 1/20 0.52
TET1 Q8NFU7 1/20 0.52
FTO Q9C0B1 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
SCHEMBL113628 1.00 KDM4E (0.59) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL112267 1.00 KDM4E (0.59) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL10155529 0.87 KDM4E (0.64) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL21957194 0.85 KDM4E (0.44) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL21957195 0.85 KDM4E (0.44) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL113922 0.83 BRD4 (0.56) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL114752 0.83 BRD4 (0.56) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL137732 0.83 KDM4E (0.57) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL113761 0.83 BRD4 (0.56) KDM4EL3MBTL1HTTNPC1RAB9A
SCHEMBL113637 0.83 KDM4E (0.57) KDM4EL3MBTL1HTTNPC1RAB9A

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 34 patents — showing the first 20. 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
EP-3221345-B1 METALLOPROTEIN COMPOSITIONS COMMW SCIENT IND RES ORG (AU) 2020-12-23 EP disclosed
US-10870875-B2 Metalloprotein compositions COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2020-12-22 US disclosed
CN-106047846-B 8-hydroxyquinoline alanine translation system and application thereof 中国科学院生物物理研究所 2020-02-04 CN disclosed
US-20180119194-A1 METALLOPROTEIN COMPOSITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2018-05-03 US disclosed
EP-3221345-A1 METALLOPROTEIN COMPOSITIONS Commonwealth Scientific and Industrial Research Organisation (AU) 2017-09-27 EP disclosed
WO-2016077877-A1 METALLOPROTEIN COMPOSITIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-05-26 WO disclosed
CN-104059891-A 8-hydroxyquinoline alanine translation system and application thereof INST BIOPHYSICS CN ACAD SCI 2014-09-24 CN disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM YEDA RESEARCH AND DEVELOPMENT CO., LTD. (IL) 2012-03-08 US disclosed
EP-1252178-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-10-30 EP 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
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO 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 (5 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 KDM4E 2706/4885L3MBTL1 2982/4885HTT 3922/4885
US-20120058945-A1 NEUROPROTECTIVE IRON CHELATORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FECH, HMOX1, FTH1 KDM4E 3494/4885L3MBTL1 908/4885HTT 9/4885
US-10870875-B2 Metalloprotein compositions PREP, MYOF, SPPL2B KDM4E 2567/4885L3MBTL1 2174/4885HTT 3641/4885
US-20180119194-A1 METALLOPROTEIN COMPOSITIONS PREP, MYOF, SPPL2B KDM4E 2427/4885L3MBTL1 2106/4885HTT 3615/4885
US-20020123468-A1 Alpha-ketoamide inhibitors of hepatitis C virus NS3 protease CES1, CYP51A1, SPINT2 KDM4E 643/4885L3MBTL1 2496/4885HTT 3177/4885

“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.