SCHEMBL6713006

SCHEMBL6713006

CCCC(Br)c1cccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6714576 0.81 HDAC3 (0.35) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL8483124 0.80 POLB (0.45) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8577606 0.79 POLB (0.42) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8673587 0.78 POLB (0.41) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL4597996 0.76 HDAC3 (0.56) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL17729935 0.72 POLB (0.38) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8574722 0.72 POLB (0.37) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8576789 0.72 POLB (0.35) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8574716 0.72 KMT2A (0.36) POLBPSEN1PSEN2APH1BNCSTN
SCHEMBL8576815 0.71 MTTP (0.35) POLBPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
US-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein THERAVANCE BIOPHARMA R&D IP, LLC 2002-03-07 US disclosed
US-6288234-B1 FLUORINATED HETEROCYCLIC AMIDO AMINE COMPOUNDS AS DRUGS ADVANCED MEDICINE, INC. 2001-09-11 US disclosed
EP-1085846-A2 MULTIBINDING INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFERASE PROTEIN Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 EP disclosed
WO-1999063929-A9 MULTIBINDING INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFERASE PROTEIN ADVANCED MEDICINE INC (US) 2000-03-16 WO disclosed
WO-1999063929-A2 MULTIBINDING INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFERASE PROTEIN ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 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-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein MTTP, CETP, HDLBP POLB 2233/4885PSEN1 3384/4885PSEN2 3253/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 POLB 1225/4885PSEN1 3976/4885PSEN2 3802/4885

“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.