SCHEMBL4420862

SCHEMBL4420862

O=c1cc(CO)occ1OCCCCCBr

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
DAO P14920 4/20 0.47
TYR P14679 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH2 P05091 2/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ELANE P08246 8/20 0.37
APLNR P35414 1/20 0.35

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
SCHEMBL10494166 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL8130767 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL8130837 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL8129293 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL8130917 0.85 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL6900551 0.82 RAB9A (0.58) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL6398164 0.82 DAO (0.53) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL3567584 0.80 RAB9A (0.59) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL3517672 0.80 RAB9A (0.56) RAB9ANPC1CYP1A2CYP2C19RECQL
SCHEMBL6397218 0.80 DAO (0.55) RAB9ANPC1CYP1A2CYP2C19RECQL

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-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2009-08-27 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-7514432-B2 Compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2009-04-07 US disclosed
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis EXONHIT THERAPEUTICS SA (FR) 2006-08-17 US disclosed
EP-1597253-B1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2006-08-09 EP disclosed
EP-1608628-A2 HISTONE DEACETYLASE INHIBITORS Takeda San Diego, Inc. (US) 2005-12-28 EP disclosed
EP-1597253-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS Exonhit Therapeutics S.A. (FR) 2005-11-23 EP disclosed
US-20050054629-A1 Compounds and methods of treating cell proliferative diseases EXONHIT THERAPEUTICS SA (FR) 2005-03-10 US disclosed
EP-1480966-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES Exonhit Therapeutics S.A. (FR) 2004-12-01 EP disclosed
WO-2004082638-A2 HISTONE DEACETYLASE INHIBITORS SYRRX, INC. (US) 2004-09-30 WO disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO disclosed
WO-2004076445-A2 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS EXONHIT THERAPEUTICS SA (FR) 2004-09-10 WO disclosed
WO-2003074508-A1 COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES EXONHIT THERAPEUTICS SA (FR) 2003-09-12 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 (3 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-20050054629-A1 Compounds and methods of treating cell proliferative diseases MKI67, CCNC, PCNA RAB9A 882/4885NPC1 151/4885CYP1A2 3570/4885
US-20090216014-A1 NOVEL COMPOUNDS AND METHODS OF TREATING CELL PROLIFERATIVE DISEASES, RETINOPATHIES AND ARTHRITIS RB1, ALDH1A2, CDK4 RAB9A 236/4885NPC1 885/4885CYP1A2 4503/4885
US-20060183749-A1 Novel compounds and methods of treating cell proliferative diseases, retinopathies and arthritis RB1, ALDH1A2, CDK4 RAB9A 236/4885NPC1 885/4885CYP1A2 4503/4885

“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.