SCHEMBL4040069

SCHEMBL4040069

CSc1cccc(OBOc2cccc(SC)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37

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
SCHEMBL28637158 0.80 CYP1A1 (0.42) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL29974516 0.78 CYP1A2 (0.58) SMN1; SMN2TP53ALDH1A1RAB9ATSHR
SCHEMBL1145531 0.78 CYP1A2 (0.58) SMN1; SMN2TP53ALDH1A1RAB9ATSHR
SCHEMBL2099844 0.77 SMN1; SMN2 (0.40) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL27519480 0.75 SMN1; SMN2 (0.39) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL19490623 0.75 LTA4H (0.50) SMN1; SMN2TP53ALDH1A1HPGDTSHR
SCHEMBL83808 0.74 MAPT (0.47) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL20350297 0.73 SMN1; SMN2 (0.44) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL21232627 0.73 KIF11 (0.39) SMN1; SMN2TP53ALDH1A1HPGDRAB9A
SCHEMBL15362379 0.73 TP53 (0.55) SMN1; SMN2TP53ALDH1A1HPGDRAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487797-B1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA LTD (CA) 2009-05-27 EP disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 US disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 EP disclosed
US-7144896-B2 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2006-12-05 US disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 WO disclosed
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors MERCK FROSST CANADA LTD. (CA) 2005-11-03 US disclosed
EP-1487797-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS Merck Frosst Canada & Co. (CA) 2004-12-22 EP disclosed
WO-2003078397-A1 HETERO-BRIDGE SUBSTITUTED 8-ARYLQUINOLINE PDE4 INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-25 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 (3 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 SMN1; SMN2 4747/4885TP53 2145/4885ALDH1A1 1591/4885
US-20050245513-A1 Hetero-bridge substituted 8-arylquinoline pde4 inhibitors PDE4A, PDE4B, PDE4C SMN1; SMN2 3892/4885TP53 4513/4885ALDH1A1 1179/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 SMN1; SMN2 4747/4885TP53 2145/4885ALDH1A1 1591/4885

“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.