SCHEMBL3520666

SCHEMBL3520666

CCCNC(=O)c1noc2cc(Br)ccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.53
NPC1 O15118 6/20 0.53
RAB9A P51151 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 2/20 0.46
TP53 P04637 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 3/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 4/20 0.42
CYP1A2 P05177 1/20 0.42
SCD5 Q86SK9 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PRNP P04156 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
SCHEMBL3526062 0.82 LMNA (0.46) LMNACYP1A2SCD5
SCHEMBL3524477 0.80 SCD5 (0.47) RAB9AHPGDMAPTLMNASCD5
SCHEMBL6169856 0.79 RAB9A (0.53) SMN1; SMN2NPC1RAB9AL3MBTL1POLB
SCHEMBL3521624 0.77 HIF1A (0.59) NPC1RAB9ALMNACYP1A2SCD5
SCHEMBL19793120 0.77 SCD5 (0.48) POLBMAPTGLALMNACYP1A2
SCHEMBL30615477 0.76 MAPT (0.48) RAB9AL3MBTL1TP53HPGDMAPT
SCHEMBL19793132 0.76 MAPT (0.48) RAB9AL3MBTL1TP53HPGDMAPT
SCHEMBL492231 0.76 TBK1 (0.48) SMN1; SMN2POLBTP53MAPTLMNA
SCHEMBL19900067 0.75 SCD5 (0.52) SMN1; SMN2POLBMAPTGLALMNA
SCHEMBL19793140 0.75 SCD5 (0.46) POLBTP53MAPTGLALMNA

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 SMN1; SMN2 4507/4885NPC1 3964/4885RAB9A 806/4885

“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.