SCHEMBL1669879

SCHEMBL1669879

O=C(NN=Cc1cc(Br)c(O)c(Br)c1)c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
BLM P54132 2/20 0.53
CHEK1 O14757 1/20 0.53
AURKA O14965 1/20 0.53
DAPK3 O43293 1/20 0.53
JAK2 O60674 1/20 0.53
PRKD3 O94806 1/20 0.53
MAP4K4 O95819 1/20 0.53
PAK4 O96013 1/20 0.53
ABL1 P00519 1/20 0.53

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
SCHEMBL1669876 1.00 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14459825 0.85 MAPT (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10127050 0.79 KMT2A (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3624710 0.77 SIRT1 (0.74) BLMCHEK1AURKADAPK3JAK2
SCHEMBL1669357 0.77 SIRT1 (0.74) BLMCHEK1AURKADAPK3JAK2
SCHEMBL1669454 0.77 SIRT1 (0.74) BLMCHEK1AURKADAPK3JAK2
SCHEMBL1669361 0.77 SIRT1 (0.74) BLMCHEK1AURKADAPK3JAK2
SCHEMBL1669270 0.76 OGG1 (0.67) HDAC1HDAC8HDAC6BLMCHEK1
SCHEMBL1669273 0.76 OGG1 (0.67) HDAC1HDAC8HDAC6BLMCHEK1
SCHEMBL1670602 0.74 MGAM (0.78) BLMCHEK1AURKADAPK3JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP claimed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US claimed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 WO claimed
US-8283351-B2 Inhibiting cyctic fibrosis transmembrane conductance regulator polypeptide ; therapy for diarrhea and polycystic kidney disease INSTITUTE FOR ONEWORLD HEALTH (US) 2012-10-09 US disclosed
US-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-08-30 US disclosed
EP-2490696-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2012-08-29 EP disclosed
WO-2011048070-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2011-04-28 WO disclosed
EP-2142498-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF Institute for Oneworld Health (US) 2010-01-13 EP disclosed
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 US disclosed
WO-2008121877-A2 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH (US) 2008-10-09 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 (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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 HDAC3 1639/4885HDAC4 3043/4885HDAC1 3161/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 HDAC3 3112/4885HDAC4 3485/4885HDAC1 3264/4885

“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.