SCHEMBL4495302

SCHEMBL4495302

Cc1c(F)cc(C(=O)Cl)cc1I

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
TPMT P51580 1/20 0.33
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
KCNE1 P15382 1/20 0.31
KCNQ1 P51787 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL987144 0.86 HDAC1 (0.57) HDAC1HDAC6CES2CES1TPMT
SCHEMBL30601711 0.82 TPMT (0.54) HDAC1HDAC6CES2CES1TPMT
SCHEMBL1233792 0.82 TPMT (0.54) HDAC1HDAC6CES2CES1TPMT
SCHEMBL1233573 0.81 HDAC1 (0.44) HDAC1HDAC6CES2CES1TPMT
SCHEMBL22468542 0.78 TPMT (0.34) TPMTALDH1A1
SCHEMBL22210664 0.78 HDAC1 (0.42) HDAC1HDAC6CES2CES1TPMT
SCHEMBL524678 0.78 KDM4E (0.48) HDAC1HDAC6ALDH1A1LMNA
SCHEMBL30601660 0.77 HDAC1 (0.48) HDAC1HDAC6CES2CES1ALDH1A1
SCHEMBL26626630 0.77 HDAC1 (0.48) HDAC1HDAC6CES2CES1ALDH1A1
SCHEMBL22194152 0.75 NPSR1 (0.44) HDAC1HDAC6CES2CES1ALDH1A1

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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
CN-101208301-A Bicyclic derivatives as p38 kinase inhibitors PALAU PHARMA SA (ES) 2008-06-25 CN disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 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 (1 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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 HDAC1 207/4885HDAC6 376/4885CES2 3221/4885

“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.