SCHEMBL4697408

SCHEMBL4697408

CCOc1ccc(C)cc1Br

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.75
MAPT P10636 6/20 0.75
TDP1 Q9NUW8 5/20 0.75
HPGD P15428 4/20 0.75
ALDH1A1 P00352 5/20 0.60
KDM4E B2RXH2 2/20 0.60
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
NPC1 O15118 3/20 0.56
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.53
PRKAG1 P54619 1/20 0.51
PRKAA1 Q13131 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PRKAB1 Q9Y478 1/20 0.51

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
SCHEMBL21558830 0.84 MAPT (0.66) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL11836462 0.83 TDP1 (0.60) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL13178888 0.83 MAPT (0.56) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL16834317 0.83 L3MBTL1 (0.75) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL12603165 0.82 L3MBTL1 (0.69) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL28446720 0.82 CYP1A2 (0.57) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL1847263 0.81 ALDH1A1 (0.58) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL805356 0.80 MAPT (0.61) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL30423350 0.80 L3MBTL1 (0.58) L3MBTL1MAPTTDP1HPGDALDH1A1
SCHEMBL15667351 0.80 TDP1 (0.66) L3MBTL1MAPTTDP1HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3865474-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2021-08-18 EP disclosed
US-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use ABBVIE GLOBAL LIMITED (BM) 2021-08-05 US disclosed
EP-3736270-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
EP-3736267-B1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE ABBVIE OVERSEAS SARL (LU) 2021-05-05 EP disclosed
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-27 US disclosed
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2021-04-20 US disclosed
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 US disclosed
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use ABBVIE OVERSEAS S.À.R.L. (LU) 2020-11-24 US disclosed
CN-111954664-A Cystic fibrosis transmembrane conductance regulator and methods of use 艾伯维海外有限公司 2020-11-17 CN disclosed
EP-3736267-A1 MODULATORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR PROTEIN AND METHODS OF USE AbbVie Overseas S.à r.l. (LU) 2020-11-11 EP disclosed
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-03-17 US disclosed
EP-1463501-B1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS HOFFMANN LA ROCHE (CH) 2008-06-11 EP disclosed
US-7332489-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2008-02-19 US disclosed
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-05-03 US disclosed
US-7169761-B2 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-01-30 US disclosed
EP-1553094-A1 AZULENE DERIVATIVES AND SALTS THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2005-07-13 EP disclosed
US-20050124555-A1 Azulene derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2005-06-09 US disclosed
EP-1463501-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2004-10-06 EP disclosed
US-6617346-B1 Inhibit the interaction of MDM2 protein with a p53-like peptide and have antiproliferative activity HOFFMANN-LA ROCHE INC. 2003-09-09 US disclosed
WO-2003051360-A1 CIS-IMIDAZOLINES AS MDM2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-26 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 (8 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-20210238159-A1 Modulators of the Cystic Fibrosis Transmembrane Conductance Regulator Protein and Methods of Use CFTR, SLC47A1, SCNN1A L3MBTL1 3452/4885MAPT 4885/4885TDP1 4790/4885
US-20050124555-A1 Azulene derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 L3MBTL1 3411/4885MAPT 4266/4885TDP1 4009/4885
US-10844042-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A L3MBTL1 3452/4885MAPT 4885/4885TDP1 4790/4885
US-10988454-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A L3MBTL1 3452/4885MAPT 4885/4885TDP1 4790/4885
US-20070099919-A1 Composition and synthesis of new reagents for inhibition of HIV replication REV1, MAVS, ISG15 L3MBTL1 1667/4885MAPT 2825/4885TDP1 1569/4885
US-20110065704-A1 COMPOUNDS FOR MODULATING RNA BINDING PROTEINS AND USES THEREFOR TIA1, ZFP3, RBM3 L3MBTL1 63/4885MAPT 4038/4885TDP1 835/4885
US-10844041-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A L3MBTL1 3452/4885MAPT 4885/4885TDP1 4790/4885
US-10981890-B2 Modulators of the cystic fibrosis transmembrane conductance regulator protein and methods of use CFTR, SLC47A1, SCNN1A L3MBTL1 3452/4885MAPT 4885/4885TDP1 4790/4885

“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.