SCHEMBL5658539

SCHEMBL5658539

BrCc1ccccc1Oc1cccc2c1CCCC2

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
IDO1 P14902 6/20 0.41
RXRA P19793 8/20 0.41
RXRB P28702 8/20 0.41
RXRG P48443 5/20 0.41
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
BRAF P15056 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL5656913 0.84 LMNA (0.45) LMNASMN1; SMN2IDO1RXRARXRB
SCHEMBL31312989 0.83 BCL2L1 (0.54) SMN1; SMN2IDO1RXRARXRBRXRG
SCHEMBL5660017 0.81 SMN1; SMN2 (0.40) LMNASMN1; SMN2IDO1RXRARXRB
SCHEMBL5659543 0.80 RXRB (0.59) LMNASMN1; SMN2IDO1RXRARXRB
SCHEMBL30306120 0.79 BCL2L1 (0.50) LMNASMN1; SMN2RXRARXRBRXRG
SCHEMBL8483842 0.79 BCL2L1 (0.50) LMNASMN1; SMN2RXRARXRBRXRG
SCHEMBL19249593 0.78 BCL2L1 (0.48) LMNASMN1; SMN2RXRARXRBRXRG
SCHEMBL4440731 0.77 SLC6A4 (0.42) TSHR
SCHEMBL3150959 0.76 BCL2L1 (0.43) LMNASMN1; SMN2BCL2L1BADTSHR
SCHEMBL29292716 0.76 MEN1 (0.41) IDO1RXRARXRBRXRGBCL2L1

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-7262309-B2 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof GLAXOSMITH KLINE ISTRAZIVOCKI CENTAR ZAGREB, D.O.O. (HR) 2007-08-28 US disclosed
EP-1492795-B1 1- OR 3-THIA-BENZONAPHTHOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2005-11-16 EP disclosed
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.D.D. (HR) 2005-06-23 US disclosed
US-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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-20050130964-A1 1- or 3-thia-benzonaphthoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B LMNA 3718/4885SMN1; SMN2 3760/4885IDO1 90/4885
US-20050137249-A1 1-or 3-thia-benznaphthoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B LMNA 2813/4885SMN1; SMN2 3809/4885IDO1 104/4885

“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.