SCHEMBL1124902

SCHEMBL1124902

COC(=O)Cc1ccsc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GLA P06280 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
EGFR P00533 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
GFER P55789 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL14560315 0.79 AKR1B1 (0.44) ALDH1A1KDM4EHPGDKMT2AMEN1
SCHEMBL14645538 0.79 KMT2A (0.46) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL27275841 0.77 ALDH1A1 (0.43) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL9430379 0.77 KMT2A (0.41) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL13225709 0.76 KMT2A (0.43) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL2684136 0.76 KMT2A (0.41) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL9632119 0.75 SLC6A1 (0.33) ALDH1A1KMT2AMEN1NPC1RAB9A
SCHEMBL10683372 0.75 KMT2A (0.46) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL14645421 0.75 KMT2A (0.54) ALDH1A1KDM4EGLAHPGDKMT2A
SCHEMBL2065835 0.74

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 ALDH1A1 1202/4885KDM4E 1840/4885GLA 1581/4885

“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.