SCHEMBL4233553

SCHEMBL4233553

O=CNc1ccc2cccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.50
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PTGS2 P35354 1/20 0.38
KCNQ2 O43526 1/20 0.38
MAPT P10636 1/20 0.38
KDM5A P29375 1/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 1/20 0.38
CA9 Q16790 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MGLL Q99685 1/20 0.37

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
SCHEMBL2292418 0.94 ALDH1A1 (0.49) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL28166832 0.89 PABPC1 (0.52) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL28874744 0.82 TDP1 (0.44) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL29135009 0.82 LMNA (0.49) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL5642281 0.82 SLC6A3 (0.42) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL25680560 0.78 PABPC1 (0.47) PABPC1ALDH1A1MEN1KMT2ATSHR
SCHEMBL14763660 0.77 ALDH1A1 (0.48) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL29135012 0.76 HDAC7 (0.44) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL5642285 0.76 LMNA (0.41) PABPC1ALDH1A1MEN1CYP2C9HPGD
SCHEMBL6541890 0.75 FABP3 (0.59) ALDH1A1MEN1CYP2C9HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440528-A Fourth Ring Bu Luomo structural domain inhibitor 艾伯维公司 2018-08-24 CN claimed
CN-105026403-B Tetracyclic Bromodomain Inhibitors 艾伯维公司 2018-05-18 CN claimed
CN-108440528-A Fourth Ring Bu Luomo structural domain inhibitor 艾伯维公司 2018-08-24 CN disclosed
CN-105026403-B Tetracyclic Bromodomain Inhibitors 艾伯维公司 2018-05-18 CN disclosed
US-7557127-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2009-07-07 US disclosed
US-20090054464-A1 HDAC INHIBITOR ASTELLAS PHARMA INC. (JP) 2009-02-26 US disclosed
US-7465731-B2 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2008-12-16 US disclosed
EP-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 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-20060052599-A1 HDAC inhibitor HDAC1, HDAC2, HDAC11 PABPC1 3448/4885ALDH1A1 1014/4885MEN1 4236/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 PABPC1 2298/4885ALDH1A1 739/4885MEN1 4088/4885

“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.