SCHEMBL5773580

SCHEMBL5773580

CCc1cccc2c(-c3nc(C(=O)OC)c(-c4ccccc4)s3)n[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
GAA P10253 2/20 0.43
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
PKM P14618 2/20 0.38
MAPK1 P28482 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TSHR P16473 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5773483 0.90 KDM4E (0.51) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5873225 0.88 KDM4E (0.49) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5771961 0.84 KDM4E (0.55) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5873216 0.82 KDM4E (0.41) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5872933 0.81 KDM4E (0.41) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5770483 0.79 RPS6KB1 (0.40) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5775974 0.79 ATAD2 (0.40) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5872907 0.78 RPA1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5872941 0.76 CDC7 (0.44) L3MBTL1KDM4EMAPK1KMT2A
SCHEMBL5767081 0.76 KDM4E (0.39) L3MBTL1KDM4EALDH1A1SMN1; SMN2HPGD

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 L3MBTL1 613/4885KDM4E 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B L3MBTL1 613/4885KDM4E 2869/4885ALDH1A1 2272/4885

“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.