SCHEMBL3527243

SCHEMBL3527243

O=C(Cc1noc2cc(Br)ccc12)N1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 5/20 0.46
THRB P10828 4/20 0.46
TP53 P04637 4/20 0.44
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ACHE P22303 1/20 0.43
SCD5 Q86SK9 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RECQL P46063 1/20 0.41
CASP6 P55212 1/20 0.40

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
SCHEMBL3522895 0.99 NPC1 (0.49) NPC1HPGDSMN1; SMN2LMNATHRB
SCHEMBL3522533 0.89 KMT2A (0.48) NPC1LMNATHRBTP53RAB9A
SCHEMBL14493075 0.84 LMNA (0.47) NPC1HPGDSMN1; SMN2LMNATHRB
SCHEMBL3526581 0.82 LMNA (0.45) LMNATHRBTP53MAPTACHE
SCHEMBL3524883 0.78 MAPT (0.56) NPC1HPGDSMN1; SMN2LMNATP53
SCHEMBL3524808 0.78 ACHE (0.58) SMN1; SMN2MAPTACHESCD5
SCHEMBL3526590 0.76 HTR2A (0.45) NPC1HPGDSMN1; SMN2LMNATP53
SCHEMBL3523047 0.76 ACHE (0.59) SMN1; SMN2MAPTACHESCD5
SCHEMBL3523616 0.74 LMNA (0.47) NPC1HPGDSMN1; SMN2LMNATP53
SCHEMBL32670475 0.74 MAPT (0.43) NPC1HPGDSMN1; SMN2LMNATP53

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 NPC1 3964/4885HPGD 992/4885SMN1; SMN2 4507/4885

“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.