SCHEMBL1125013

SCHEMBL1125013

O=Cc1ccc(/C=C2/SC(=O)NC2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 11/20 0.72
PIM2 Q9P1W9 10/20 0.72
PIM3 Q86V86 1/20 0.72
HPGD P15428 4/20 0.70
MAOA P21397 3/20 0.70
AKR1B1 P15121 3/20 0.70
GSK3B P49841 2/20 0.70
RAB9A P51151 2/20 0.70
MAOB P27338 2/20 0.70
TDP1 Q9NUW8 1/20 0.70
CISD1 Q9NZ45 3/20 0.68
IGF1R P08069 2/20 0.64
NPC1 O15118 1/20 0.64

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
SCHEMBL2555241 1.00 PIM1 (0.72) PIM1PIM2PIM3HPGDMAOA
SCHEMBL1125015 1.00 PIM1 (0.72) PIM1PIM2PIM3HPGDMAOA
Benzaldehyde SCHEMBL10480890 0.93 PIM1 (0.86) PIM1PIM2PIM3HPGDMAOA
Benzaldehyde SCHEMBL10480742 0.93 PIM1 (0.86) PIM1PIM2PIM3HPGDMAOA
SCHEMBL10272939 0.86 PIM1 (0.74) PIM1PIM2HPGDMAOAMAOB
SCHEMBL12961168 0.85 NAT1 (0.73) MAOARAB9ACISD1NPC1
SCHEMBL15332599 0.85 MEN1 (0.73) PIM1PIM2PIM3HPGDMAOA
SCHEMBL15332601 0.85 MEN1 (0.73) PIM1PIM2PIM3HPGDMAOA
SCHEMBL1125091 0.85 NAT1 (0.73) MAOARAB9ACISD1NPC1
SCHEMBL1125089 0.85 NAT1 (0.73) MAOARAB9ACISD1NPC1

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 PIM1 4675/4885PIM2 4611/4885PIM3 4681/4885

“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.