SCHEMBL3524477

SCHEMBL3524477

O=C(NCC1CC1)c1noc2cc(Br)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.47
HIF1A Q16665 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GSK3B P49841 5/20 0.44
MLLT1 Q03111 1/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
RAB9A P51151 1/20 0.41
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
AR P10275 1/20 0.39
ACHE P22303 1/20 0.38

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
SCHEMBL3521624 0.81 HIF1A (0.59) SCD5HIF1AMEN1KMT2ALMNA
SCHEMBL3520615 0.81 ACHE (0.43) SCD5HIF1AMEN1KMT2AHPGD
SCHEMBL6169954 0.80 HIF1A (0.45) HIF1AMEN1KMT2AGSK3BMLLT1
SCHEMBL3520666 0.80 SMN1; SMN2 (0.53) SCD5MEN1KMT2AHPGDKDM4E
SCHEMBL3526062 0.77 LMNA (0.46) SCD5HIF1ALMNA
SCHEMBL2589092 0.76 HIF1A (0.43) HIF1AGSK3BMLLT1HDAC4HDAC6
SCHEMBL19900067 0.73 SCD5 (0.52) SCD5HIF1AMEN1KMT2AKDM4E
SCHEMBL2438923 0.73 FAAH (0.47) SCD5HIF1AMEN1KMT2AHPGD
SCHEMBL492389 0.72 CHRNA7 (0.51) SCD5
SCHEMBL19793120 0.72 SCD5 (0.48) SCD5HIF1AKDM4EALDH1A1LMNA

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 7 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
EP-1531812-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2005-05-25 EP disclosed
WO-2004010995-A1 FUSED HETEROARYL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS IN THE TREATMENT OF I.A. RHEUMATOID ARTHRISTIS SMITHKLINE BEECHAM CORPORATION (US) 2004-02-05 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-20060122221-A1 Fused heteroaryl derivatives for use as p38 kinase inhibitors in the treatment of i.a. rheumatoid arthristis MAPK7, CNKSR1, MAPK1 SCD5 4466/4885HIF1A 2454/4885MEN1 4664/4885

“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.