SCHEMBL4227402

SCHEMBL4227402

CC(C)(C)C1CCC(Nc2ncc(C=CC(=O)O)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
PIM2 Q9P1W9 2/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PIM1 P11309 1/20 0.36
AOC3 Q16853 1/20 0.34
F2 P00734 1/20 0.34
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
P4HTM Q9NXG6 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
MET P08581 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PTPN11 Q06124 1/20 0.33
NR0B2 Q15466 1/20 0.33
HPGDS O60760 1/20 0.32

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
SCHEMBL4227396 1.00 RAB9A (0.38) RAB9APIM2ALDH1A1GAAPIM1
Hydrochloric Acid SCHEMBL4215481 0.88 HDAC1 (0.36) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4215487 0.88 HDAC1 (0.36) ALDH1A1GAA
SCHEMBL4215301 0.86 RAB9A (0.40) RAB9APIM2ALDH1A1PIM1P4HTM
SCHEMBL4215307 0.86 RAB9A (0.40) RAB9APIM2ALDH1A1PIM1P4HTM
SCHEMBL4223462 0.83 ALDH1A1 (0.40) RAB9AALDH1A1GAAF2F7
Hydrochloric Acid SCHEMBL4227057 0.83 PIM2 (0.38) RAB9APIM2ALDH1A1PIM1P4HTM
Hydrochloric Acid SCHEMBL4227052 0.83 PIM2 (0.38) RAB9APIM2ALDH1A1PIM1P4HTM
SCHEMBL4224052 0.80 CCNA2 (0.34) RAB9AALDH1A1F2F7F3
SCHEMBL4224057 0.80 CCNA2 (0.34) RAB9AALDH1A1F2F7F3

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 RAB9A 2640/4885PIM2 4363/4885ALDH1A1 1014/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 RAB9A 2990/4885PIM2 3937/4885ALDH1A1 739/4885

“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.