SCHEMBL75858

SCHEMBL75858

O=C(Cl)C(Br)c1ccc(Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CYP2C9 P11712 3/20 0.42
MEN1 O00255 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
CES2 O00748 2/20 0.41
CES1 P23141 2/20 0.41
TSHR P16473 4/20 0.40
GABBR2 O75899 3/20 0.40
GABBR1 Q9UBS5 3/20 0.40
LMNA P02545 2/20 0.40
FFAR2 O15552 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NFKB1 P19838 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL9298515 1.00 BRD4 (0.45) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL17633670 0.82 CYP1A2 (0.45) MEN1CYP2C19KMT2ACES2CES1
SCHEMBL5742269 0.82 CES2 (0.46) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL75753 0.82 CES2 (0.52) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL9298853 0.82 CES2 (0.52) BRD4HDAC4HDAC7HDAC5CYP2C9
Hydrochloric Acid SCHEMBL75859 0.80 CES2 (0.50) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL622334 0.80 BRD4 (0.59) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL7473524 0.80 CYP2C9 (0.44) BRD4HDAC4HDAC7HDAC5CYP2C9
SCHEMBL9558033 0.80 HDAC3 (0.44) HDAC4HDAC7HDAC5CES2CES1
SCHEMBL9285788 0.80 ALDH1A1 (0.43) MEN1KMT2ACES2CES1LMNA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME CELLIX BIO PRIVATE LIMITED (IN) 2016-05-05 US disclosed
US-9321716-B1 Compositions and methods for the treatment of metabolic syndrome CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
US-9321716-B1 Compositions and methods for the treatment of metabolic syndrome CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
US-9321716-B1 Compositions and methods for the treatment of metabolic syndrome CELLIX BIO PRIVATE LIMITED (IN) 2016-04-26 US disclosed
EP-1919857-B1 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
EP-1919857-B1 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2016-03-09 EP disclosed
CN-101243040-B Synthesis method of mandipropamid and derivatives thereof SYNGENTA PARTICIPATIONS AG 2012-12-05 CN disclosed
US-8129560-B2 Process for the synthesis of mandipropamid and derivatives thereof SYNGENTA CROP PROTECTION, INC. (US) 2012-03-06 US disclosed
WO-2007020381-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
WO-2007020381-A2 PROCESS FOR THE SYNTHESIS OF MANDIPROPAMID AND DERIVATIVES THEREOF SYNGENTA PARTICIPATIONS AG (CH) 2007-02-22 WO disclosed
EP-0441539-B1 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO (JP) 1996-04-10 EP disclosed
US-5496815-A TREATMENT OF ISCHEMIC ENCEPHALOPATHIA TANABE SEIYAKU CO., LTD. (JP) 1996-03-05 US disclosed
US-5374656-A Nervous system disorders, gastrointestinal disorders RHONE-POULENC RORER, S.A. (FR) 1994-12-20 US disclosed
US-5281592-A Calcium antagonist, antiischemic agents, brains, nervous system disorders TANABE SEIYAKU CO., LTD. (JP) 1994-01-25 US disclosed
US-5246929-A Prophylaxis or treatment of ischemic encephalopathia TANABE SEIYAKU CO., LTD. (JP) 1993-09-21 US disclosed
EP-0441539-A2 Thiazine (or oxazine) derivatives and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1991-08-14 EP disclosed
US-4639541-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1987-01-27 US disclosed
US-3971828-A METABOLISM, PROPHYLAXIS SANTEN PHARMACEUTICAL CO. LTD. (JA) 1976-07-27 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-20160122283-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC SYNDROME SLC5A1, SLC5A2, SLC2A1 BRD4 4598/4885HDAC4 3320/4885HDAC7 3988/4885

“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.