SCHEMBL2165280

SCHEMBL2165280

[O]C(=O)c1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPRF P10586 1/20 0.44
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 2/20 0.38
PARP1 P09874 1/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
HMGB1 P09429 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL1298701 0.81 MEN1 (0.54) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL4652941 0.80 ALDH1A1 (0.56) ALDH1A1ALOX15TSHRCES2CES1
SCHEMBL12648858 0.79 MEN1 (0.52) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL40612 0.79 ALDH1A1 (0.65) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL30516691 0.79 ALDH1A1 (0.65) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL3839465 0.79 KMT2A (0.52) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL967996 0.77 ALDH1A1 (0.56) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL8813905 0.77 ALDH1A1 (0.56) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL11101821 0.77 MEN1 (0.50) MEN1KMT2ATDP1PTPN2PTPN1
SCHEMBL14439684 0.77 MEN1 (0.50) MEN1KMT2ATDP1PTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US claimed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP claimed
EP-2228376-B1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY KITASATO INST (JP) 2015-06-03 EP disclosed
US-8519128-B2 Pyripyropene derivatives having an ACAT2-inhibiting activity THE KITASATO INSTITUTE (JP) 2013-08-27 US disclosed
US-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity THE KITASATO INSTITUTE (JP) 2011-07-28 US disclosed
EP-2228376-A1 PYRIPYROPENE DERIVATIVE HAVING ACAT2-INHIBITING ACTIVITY The Kitasato Institute (JP) 2010-09-15 EP disclosed
US-5985869-A USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1999-11-16 US disclosed
US-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5559230-A VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-09-24 US disclosed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
EP-0450097-A1 BENZOHETEROCYCLIC COMPOUNDS. OTSUKA PHARMA CO LTD (JP) 1991-10-09 EP disclosed
WO-1991005549-A1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 WO disclosed
US-3936462-A CNS DEPRESSANT, ANALGESIC STERLING DRUG INC. (US) 1976-02-03 US 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 (1 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-20110184173-A1 Pyripyropene Derivatives Having An ACAT2-Inhibiting Activity ACAT2, ACAT1, AGPAT2 MEN1 3873/4885KMT2A 935/4885TDP1 1436/4885

“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.