SCHEMBL4233550

SCHEMBL4233550

O=[C]Nc1ccc2cccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGS2 P35354 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
MYC P01106 1/20 0.37
HSD17B10 Q99714 2/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MAPK1 P28482 1/20 0.37
MAPT P10636 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
SCHEMBL543372 0.94 FABP3 (0.47) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL1984007 0.82 MEN1 (0.43) FABP3FABP4FABP5ALDH1A1MEN1
SCHEMBL11431768 0.79 FABP4 (0.39) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL6541890 0.75 FABP3 (0.59) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL3244144 0.72 SMN1; SMN2 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL9310587 0.72 FABP3 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL11463688 0.71 L3MBTL1 (0.37) ALDH1A1HPGDCA12CA2LMNA
SCHEMBL1176858 0.71 PTPN1 (0.47) ALDH1A1MAPK1MAPTHTT
SCHEMBL1680278 0.71 ALDH1A1 (0.43) FABP3FABP4FABP5ALDH1A1HPGD
SCHEMBL4233553 0.71 PABPC1 (0.50) FABP3FABP4FABP5ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 FABP3 4533/4885FABP4 4412/4885FABP5 4268/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 FABP3 4588/4885FABP4 4544/4885FABP5 4372/4885

“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.