SCHEMBL4168555

SCHEMBL4168555

Clc1cccc(B(Oc2cccc3cccnc23)c2cccc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.47
MAPT P10636 5/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 6/20 0.44
SLC40A1 Q9NP59 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
METAP2 P50579 2/20 0.43
METAP1 P53582 2/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HDAC6 Q9UBN7 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
SCHEMBL5166506 0.92 RAB9A (0.47) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL5167718 0.92 RAB9A (0.44) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL4830698 0.89 MEN1 (0.44) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL5163999 0.88 MEN1 (0.44) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL5167091 0.87 ALDH1A1 (0.46) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL1186566 0.87 KDM4E (0.42) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL4169850 0.85 LMNA (0.51) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL4835873 0.84 RAB9A (0.45) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL1186836 0.83 RAB9A (0.43) LMNAMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL4169797 0.83 METAP2 (0.55) LMNAMAPTSMN1; SMN2HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US claimed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP claimed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO claimed
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENN STATE RESEARCH FOUNDATION, THE 2005-04-14 US claimed
EP-1463739-A2 METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) 2004-10-06 EP claimed
WO-2003059916-A2 METHODS FOR THE PREPARATION OF ALKYL DIARYL BORINATES AND COMPLEXED DIARYLBORINIC ACIDS THE PENNSYLVANIA STATE RESEARCH FOUNDATION (US) 2003-07-24 WO claimed
US-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids THE PENNSYLVANIA STATE RESEARCH FOUNDATION 2009-03-26 US disclosed
EP-1980564-A1 Antibiotics containing borinic acid complexes and methods of use Anacor Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
US-7405304-B2 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids THE PENN STATE RESEARCH FOUNDATION (US) 2008-07-29 US disclosed
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. 2008-06-19 US disclosed
EP-1581500-A4 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS INC (US) 2008-03-05 EP disclosed
EP-1732896-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) Aventis Pharmaceuticals Inc. (US) 2006-12-20 EP disclosed
EP-1339725-B1 DNA METHYL TRANSFERASE INHIBITORS PENN STATE RES FOUND (US) 2006-11-22 EP disclosed
WO-2005097750-A1 SUBSTITUTED PYRIDONES AS INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASE (PARP) AVENTIS PHARMACEUTICALS INC. (US) 2005-10-20 WO disclosed
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors BENKOVIC STEPHEN J 2005-10-13 US disclosed
EP-1581500-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE Anacor Pharmaceuticals, Inc. (US) 2005-10-05 EP disclosed
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids PENN STATE RESEARCH FOUNDATION, THE 2005-04-14 US disclosed
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use ANACOR PHARMACEUTICALS, INC. 2004-11-11 US disclosed
WO-2004056322-A2 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE ANACOR PHARMACEUTICALS, INC. (US) 2004-07-08 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 (5 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-20090082561-A1 Methods For The Preparation Of Alkyl Diaryl Borinates And Complexed Diarylboronic Acids BCL6B, BLVRB, SSB LMNA 447/4885MAPT 4221/4885HPGD 1831/4885
US-20050080048-A1 Methods for the preparation of alkyl diaryl borinates and complexed diarylboronic acids BCL6B, BLVRB, SSB LMNA 447/4885MAPT 4221/4885HPGD 1831/4885
US-20040224923-A1 Antibiotics containing borinic acid complexes and methods of use BPGM, BROX, TBCA LMNA 594/4885MAPT 3334/4885HPGD 1730/4885
US-20080146803-A1 ANTIBIOTICS CONTAINING BORINIC ACID COMPLEXES AND METHODS OF USE BPGM, BROX, TBCA LMNA 594/4885MAPT 3334/4885HPGD 1730/4885
US-20050227933-A1 Treatment of bacterial induced diseases using DNA methyl transferase inhibitors DNMT1, TPMT, GNMT LMNA 3997/4885MAPT 2351/4885HPGD 1054/4885

“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.