SCHEMBL2084869

SCHEMBL2084869

CC(Br)CCC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.53
MAPT P10636 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
LMNA P02545 3/20 0.53
NR4A2 P43354 1/20 0.53
KMT2A Q03164 2/20 0.52
GSK3B P49841 2/20 0.50
PTPN1 P18031 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HDAC1 Q13547 2/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL5696497 0.89 L3MBTL1 (0.60) L3MBTL1MAPTTDP1LMNANR4A2
Benzene SCHEMBL27311002 0.84 TRPA1 (0.58) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL11280841 0.84 TDP1 (0.57) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL725762 0.84 TRPA1 (0.58) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL1572261 0.82 CYP3A4 (0.59) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL10473788 0.82 CYP3A4 (0.59) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL4745748 0.81 L3MBTL1 (0.50) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL9184944 0.81 L3MBTL1 (0.53) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL1395104 0.81 L3MBTL1 (0.53) L3MBTL1MAPTTDP1LMNANR4A2
SCHEMBL28362723 0.81 L3MBTL1 (0.53) L3MBTL1MAPTTDP1LMNANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863313-B2 Methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2011-01-04 US disclosed
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases CORTICAL PTY LTD (AU) 2010-12-23 US disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1611120-A4 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2008-04-23 EP disclosed
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases CORTICAL PTY LTD (AU) 2007-01-11 US disclosed
EP-1611120-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES Cortical Pty Ltd (AU) 2006-01-04 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
WO-2004089927-A1 NOVEL METHODS FOR THE TREATMENT OF INFLAMMATORY DISEASES CORTICAL PTY LTD (AU) 2004-10-21 WO disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (4 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 L3MBTL1 4124/4885MAPT 1892/4885TDP1 1197/4885
US-20070010563-A1 Novel methods for the treatment of inflammatory diseases MIF, CCL2, CCL11 L3MBTL1 3842/4885MAPT 3891/4885TDP1 4452/4885
US-20100324001-A1 Novel Methods for the Treatment of Inflammatory Diseases MIF, CCL2, CCL11 L3MBTL1 3842/4885MAPT 3891/4885TDP1 4452/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 L3MBTL1 2776/4885MAPT 3756/4885TDP1 326/4885

“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.