SCHEMBL1669352

SCHEMBL1669352

O=C(COc1ccc2cc(Br)ccc2c1)NN=Cc1cc(-c2ccsc2)c(O)c(-c2ccsc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.48
KMT2A Q03164 9/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 6/20 0.41
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PAX8 Q06710 1/20 0.41
NPC1 O15118 1/20 0.41
STAT1 P42224 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
BACE1 P56817 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 3/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL1669349 1.00 TP53 (0.51) TP53GAAKMT2AMAPTMEN1
SCHEMBL1672377 0.82 KMT2A (0.56) GAAKMT2AMAPTMEN1LMNA
SCHEMBL1672374 0.82 KMT2A (0.56) GAAKMT2AMAPTMEN1LMNA
SCHEMBL3626079 0.73 KMT2A (0.61) TP53GAAKMT2AMAPTMEN1
SCHEMBL3626077 0.73 KMT2A (0.61) TP53GAAKMT2AMAPTMEN1
SCHEMBL17124160 0.71 MAPT (0.59) GAAKMT2AMAPTMEN1LMNA
SCHEMBL8003445 0.70 MAPT (0.62) GAAKMT2AMAPTMEN1LMNA
SCHEMBL12637181 0.69 KMT2A (0.64) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL1029247 0.68 MAPT (0.70) KMT2AMAPTMEN1LMNAKDM4E
SCHEMBL13568991 0.67 BACE1 (0.62) TP53GAAKMT2AMAPTMEN1

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 8 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
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF INSTITUTE FOR ONEWORLD HEALTH 2008-10-30 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-20120219543-A1 METHODS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF DISORDERS OF GLUCOSE HOMEOSTASIS CFTR, IAPP, GPR119 TP53 1511/4885GAA 219/4885KMT2A 4121/4885
US-20080269206-A1 CFTR INHIBITOR COMPOUNDS AND USES THEREOF CFTR, PKD1, PKD2 TP53 1740/4885GAA 479/4885KMT2A 4688/4885

“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.