SCHEMBL5773483

SCHEMBL5773483

COC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
NR4A2 P43354 1/20 0.39
PKM P14618 2/20 0.39
MAPK1 P28482 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39
GRM6 O15303 1/20 0.38
GRM5 P41594 1/20 0.38
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
ERCC1 P07992 1/20 0.37
FEN1 P39748 1/20 0.37
ERCC4 Q92889 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
SCHEMBL5873216 0.92 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5872933 0.91 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5873225 0.90 KDM4E (0.49) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5773580 0.90 L3MBTL1 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5770483 0.89 RPS6KB1 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5775974 0.89 ATAD2 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5872907 0.89 RPA1 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5771961 0.86 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5770001 0.84 LRRK2 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5872941 0.82 CDC7 (0.44) KDM4EL3MBTL1MAPK1KMT2A

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 2869/4885SMN1; SMN2 4219/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885SMN1; SMN2 4219/4885ALDH1A1 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.