SCHEMBL3526119

SCHEMBL3526119

COc1cccc(CNC(=O)Cc2noc3cc(Br)ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
LMNA P02545 1/20 0.52
ALDH1A1 P00352 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 2/20 0.47
RECQL P46063 2/20 0.46
MMP13 P45452 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6170062 0.82 HPGD (0.52) HPGDLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL27977535 0.78 HPGD (0.69) HPGDLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL3525728 0.78 RAB9A (0.48) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3524006 0.76 MAPK14 (0.67) MMP13
SCHEMBL32670475 0.75 MAPT (0.43) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3523616 0.75 LMNA (0.47) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL3525870 0.73 RAB9A (0.43) HPGDLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL15115762 0.72 TSPO (0.62) HPGDLMNAALDH1A1HTTSMN1; SMN2
SCHEMBL24479841 0.71 MAPT (0.66) LMNAALDH1A1MAPTMMP13MEN1
SCHEMBL5350507 0.71 ALDH1A1 (0.74) HPGDLMNAALDH1A1HTTSMN1; SMN2

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 5 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-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
US-7642276-B2 Fused heteroaryl derivatives for use as P38 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2010-01-05 US disclosed
EP-1531812-B1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRITIS SMITHKLINE BEECHAM CORP (US) 2007-06-27 EP 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

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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 HPGD 992/4885LMNA 3838/4885ALDH1A1 1269/4885

“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.