SCHEMBL1999414

SCHEMBL1999414

COC(=O)CNCc1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.49
HPGD P15428 3/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 6/20 0.45
MEN1 O00255 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
TGM2 P21980 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ATM Q13315 1/20 0.43
HTR2A P28223 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
SCHEMBL15692215 0.85 KMT2A (0.61) PYCR1HPGDLMNAKMT2AMEN1
SCHEMBL8242582 0.84 TGM2 (0.44) PYCR1HPGDLMNAKMT2AMEN1
SCHEMBL1279312 0.84 CA1 (0.49) HPGDLMNAKMT2AMEN1L3MBTL1
SCHEMBL6811685 0.84 KMT2A (0.50) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL14238298 0.83 PYCR1 (0.44) PYCR1HPGDLMNAKMT2AMEN1
SCHEMBL206952 0.82 MEN1 (0.57) KMT2AMEN1KDM4EMAPTGAA
SCHEMBL5004061 0.82 ALDH1A1 (0.54) HPGDLMNAKMT2AMEN1CYP2C19
SCHEMBL2891362 0.82 CA12 (0.54) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL13244939 0.82 HPGD (0.45) HPGDLMNAKMT2AMEN1KDM4E
SCHEMBL717052 0.81 MEN1 (0.50) HPGDLMNAKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016979-B Substituted cyclic compound as well as use method and application thereof 广东东阳光药业有限公司 2017-05-03 CN disclosed
CN-104016979-A Substituted cyclic compound as well as use method and application thereof GUANGDONG HEC PHARMACEUTICAL 2014-09-03 CN disclosed
WO-2014089324-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2014-06-12 WO disclosed
EP-2373627-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. Organon (NL) 2011-10-12 EP disclosed
US-7960560-B2 1-(biphenyl-4-ylmethyl)imidazolidine-2,4-dione N.V. ORGANON (NL) 2011-06-14 US disclosed
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE N. V. ORGANON 2010-06-10 US disclosed
WO-2010063721-A1 1- (BIPHENYL-4-YLMETHYL) IMIDAZOLIDINE-2, 4-DIONE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR AGONISTS N.V. ORGANON (NL) 2010-06-10 WO disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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 (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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B PYCR1 1785/4885HPGD 73/4885LMNA 3108/4885
US-20100144723-A1 1-(BIPHENYL-4-YLMETHYL)IMIDAZOLIDINE-2,4-DIONE OPRM1, OR10J3, OPRD1 PYCR1 1140/4885HPGD 4246/4885LMNA 4840/4885

“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.