SCHEMBL5771961

SCHEMBL5771961

COC(=O)c1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
STAT3 P40763 1/20 0.55
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 2/20 0.47
ALPL P05186 1/20 0.47
IDO1 P14902 1/20 0.47
TTK P33981 1/20 0.47
MAPK10 P53779 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAP2K4 P45985 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPKAPK3 Q16644 1/20 0.45
MAPK6 Q16659 1/20 0.45
FLT3 P36888 1/20 0.43
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL5773795 0.87 MAP2K4 (0.53) KDM4EALDH1A1HPGDGAAALPL
SCHEMBL5773483 0.86 KDM4E (0.51) KDM4ESTAT3HIF1AALDH1A1SMN1; SMN2
SCHEMBL5873225 0.84 KDM4E (0.49) KDM4ESTAT3HIF1AALDH1A1SMN1; SMN2
SCHEMBL5773580 0.84 L3MBTL1 (0.50) KDM4ESTAT3HIF1AALDH1A1SMN1; SMN2
SCHEMBL5770836 0.78 ITK (0.49) KDM4EHIF1AALDH1A1SMN1; SMN2HPGD
SCHEMBL5872992 0.78 MAP2K4 (0.48) KDM4EALDH1A1IDO1TTKMAP2K4
SCHEMBL5768215 0.78 IDO1 (0.57) KDM4EALDH1A1HPGDGAAALPL
SCHEMBL5771654 0.78 ALDH1A1 (0.65) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL5873216 0.78 KDM4E (0.41) KDM4ESTAT3HIF1AALDH1A1SMN1; SMN2
SCHEMBL5872933 0.77 KDM4E (0.41) KDM4ESTAT3HIF1AALDH1A1SMN1; SMN2

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-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
US-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885STAT3 3846/4885HIF1A 3531/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885STAT3 3846/4885HIF1A 3531/4885

“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.