SCHEMBL3053804

SCHEMBL3053804

Cc1ccc(NC(=O)CC2CC2)cc1Nc1ccc2c(c1)CN(CCCO)C2=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.49
MAPK14 Q16539 7/20 0.42
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 3/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ITGA2 P17301 1/20 0.37
TTK P33981 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL3051660 0.81 MAPK14 (0.46) MAPK14RAB9AMEN1KMT2ANPC1
SCHEMBL3048771 0.81 HDAC6 (0.50) HDAC6MAPK14HPGD
SCHEMBL3058508 0.80 MAPK14 (0.56) HDAC6MAPK14CYP3A4
SCHEMBL3058462 0.76 MAPK14 (0.44) MAPK14RAB9AMEN1KMT2ANPC1
SCHEMBL3051322 0.75 MAPK14 (0.57) HDAC6MAPK14CYP3A4
SCHEMBL5283217 0.71 MAPK14 (0.57) MAPK14
SCHEMBL20924128 0.69 PRF1 (0.46) HDAC6RAB9AMEN1KMT2ANPC1
SCHEMBL3056347 0.69 MAPK14 (0.43) MAPK14RAB9AMEN1KMT2ANPC1
SCHEMBL3054889 0.69 MAPK14 (0.59) HDAC6MAPK14CYP3A4
SCHEMBL4506375 0.67 MAPK14 (0.52) MAPK14RAB9AMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 US claimed
US-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors PALAU PHARMA, S.A. (ES) 2010-09-02 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 (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-20100222363-A1 Bicyclic Derivatives as P38 Inhibitors MAPK1, MAPKAPK2, MAPK7 HDAC6 267/4885MAPK14 21/4885RAB9A 1460/4885

“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.