SCHEMBL5873225

SCHEMBL5873225

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GAA P10253 2/20 0.43
PKM P14618 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RCE1 Q9Y256 1/20 0.40
NR4A2 P43354 1/20 0.40
STAT3 P40763 1/20 0.39
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 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
SCHEMBL5773483 0.90 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5773580 0.88 L3MBTL1 (0.50) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5771961 0.84 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5873216 0.82 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5872933 0.81 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5770483 0.79 RPS6KB1 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5775974 0.79 ATAD2 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5872907 0.78 RPA1 (0.44) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL5770570 0.78 NR4A2 (0.38) KDM4ESMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL31647147 0.75 KDM4E (0.59) KDM4ESMN1; SMN2HPGDNR4A2STAT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.