SCHEMBL3525812

SCHEMBL3525812

CC1(C)OB(c2cccc(C(=O)NCC3CC3)c2)OC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
POLB P06746 1/20 0.48
HDAC6 Q9UBN7 3/20 0.46
MAPK14 Q16539 1/20 0.45
KDM1A O60341 1/20 0.44
HPGD P15428 2/20 0.43
KCNH2 Q12809 1/20 0.43
CACNA1I Q9P0X4 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
F10 P00742 1/20 0.42

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
SCHEMBL4818763 0.85 CA2 (0.54) HDAC6MAPK14HDAC3HDAC4HDAC1
SCHEMBL3322095 0.83 LIPG (0.47) MEN1KMT2A
SCHEMBL1232115 0.81 SMYD3 (0.50) MEN1KMT2AKDM1AHPGD
SCHEMBL3337290 0.81 L3MBTL1 (0.46) MEN1KMT2APOLBHPGD
SCHEMBL31449957 0.81 L3MBTL1 (0.59) POLBHPGD
SCHEMBL7894455 0.80 ALDH1A1 (0.49)
SCHEMBL16554751 0.80 GAA (0.62) MEN1KMT2APOLBHPGDACACB
SCHEMBL14189767 0.80 CA1 (0.45) MEN1KMT2APOLB
SCHEMBL29242386 0.80 CA2 (0.52) MEN1KMT2APOLBHDAC6MAPK14
SCHEMBL1233325 0.80 MAPK14 (0.56) MAPK14

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-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7208629-B2 5′-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2007-04-24 US disclosed
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis SMITHKLINE BEECHAM CORPORATION 2006-06-08 US disclosed
US-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2004-12-30 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-20040267012-A1 5'-Carbamoyl-1,1-biphenyl-4-carboxamide derivatives and their use as p38 kinase inhibitors MAPK4, GRK4, NR4A1 MEN1 3787/4885KMT2A 711/4885POLB 3550/4885
US-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 MEN1 4664/4885KMT2A 3459/4885POLB 1798/4885

“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.