SCHEMBL5872933

SCHEMBL5872933

COC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAP2K4 P45985 1/20 0.40
PKM P14618 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR4A2 P43354 1/20 0.37
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.36
STAT3 P40763 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 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
SCHEMBL5873216 0.91 KDM4E (0.41) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5773483 0.91 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5774853 0.90 TRPM8 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDPKM
SCHEMBL5770483 0.90 RPS6KB1 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5770001 0.85 LRRK2 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5775974 0.84 ATAD2 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5770583 0.81 HCRTR1 (0.42) KDM4EALDH1A1HPGDHSD17B10HCRTR1
SCHEMBL5773580 0.81 L3MBTL1 (0.50) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5873225 0.81 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5872907 0.80 RPA1 (0.44) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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

“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.