SCHEMBL4223462

SCHEMBL4223462

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
IRAK4 Q9NWZ3 6/20 0.33
CNR2 P34972 1/20 0.33
ANO1 Q5XXA6 1/20 0.32
FGFR2 P21802 1/20 0.32
F2 P00734 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
RAB9A P51151 1/20 0.32
HPGDS O60760 2/20 0.31
CHRM4 P08173 1/20 0.31
CYP3A4 P08684 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MCHR1 Q99705 1/20 0.31

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
SCHEMBL4227182 0.84 KMT2A (0.42) HPGDSL3MBTL1MCHR1
SCHEMBL4227396 0.83 RAB9A (0.38) ALDH1A1GAAIRAK4ANO1F2
SCHEMBL4227402 0.83 RAB9A (0.38) ALDH1A1GAAIRAK4ANO1F2
Hydrochloric Acid SCHEMBL4215481 0.81 HDAC1 (0.36) ALDH1A1GAA
Hydrochloric Acid SCHEMBL4215487 0.81 HDAC1 (0.36) ALDH1A1GAA
SCHEMBL4222259 0.80 ALDH1A1 (0.40) ALDH1A1GAAIRAK4ANO1FGFR2
SCHEMBL4232237 0.78 P2RY12 (0.46)
SCHEMBL4218975 0.75 MCHR1 (0.40) ALDH1A1CNR2RAB9AMCHR1
SCHEMBL4224052 0.73 CCNA2 (0.34) ALDH1A1F2F7F3RAB9A
SCHEMBL4224057 0.73 CCNA2 (0.34) ALDH1A1F2F7F3RAB9A

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 4 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
US-20060052599-A1 HDAC inhibitor ASTELLAS PHARMA INC. (JP) 2006-03-09 US 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 ALDH1A1 1014/4885GAA 1351/4885IRAK4 4225/4885
US-20090054464-A1 HDAC INHIBITOR HDAC1, HDAC2, HDAC8 ALDH1A1 739/4885GAA 1156/4885IRAK4 4365/4885

“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.