SCHEMBL1125091

SCHEMBL1125091

O=Cc1ccc(C=C2SC(=S)NC2=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.73
MYC P01106 4/20 0.73
CISD1 Q9NZ45 3/20 0.73
MAX P61244 3/20 0.73
CA2 P00918 1/20 0.73
EPHX1 P07099 1/20 0.73
MAOA P21397 1/20 0.69
CRHBP P24387 2/20 0.68
CRHR2 Q13324 2/20 0.68
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
CSNK2A2 P19784 1/20 0.68
CLK1 P49759 1/20 0.68
CSNK2B P67870 1/20 0.68
CSNK2A1 P68400 1/20 0.68
DYRK1A Q13627 1/20 0.68
DYRK1B Q9Y463 1/20 0.68
IL1RN P18510 1/20 0.68
ERAP1 Q9NZ08 1/20 0.68

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
SCHEMBL1125089 1.00 NAT1 (0.73) NAT1MYCCISD1MAXCA2
SCHEMBL12961168 1.00 NAT1 (0.73) NAT1MYCCISD1MAXCA2
SCHEMBL2555241 0.85 PIM1 (0.72) CISD1MAOANPC1RAB9A
SCHEMBL1125015 0.85 PIM1 (0.72) CISD1MAOANPC1RAB9A
SCHEMBL1125013 0.85 PIM1 (0.72) CISD1MAOANPC1RAB9A
SCHEMBL8167436 0.85 PIM1 (0.75) NAT1MYCCISD1MAXCA2
SCHEMBL1249069 0.85 NAT1 (1.00) NAT1MYCCISD1MAXCA2
SCHEMBL20816059 0.85 NAT1 (1.00) NAT1MYCCISD1MAXCA2
SCHEMBL8167434 0.85 PIM1 (0.75) NAT1MYCCISD1MAXCA2
SCHEMBL8534665 0.85 NAT1 (1.00) NAT1MYCCISD1MAXCA2

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
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 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 (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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 NAT1 221/4885MYC 3980/4885CISD1 779/4885

“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.