SCHEMBL4926459

SCHEMBL4926459

COC(C)c1ccc(C(=O)O)c(N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.41
GABRD O14764 3/20 0.41
GABRA1 P14867 3/20 0.41
GABRB1 P18505 3/20 0.41
GABRG2 P18507 3/20 0.41
GABRB3 P28472 3/20 0.41
GABRA5 P31644 3/20 0.41
GABRA3 P34903 3/20 0.41
GABRA2 P47869 3/20 0.41
GABRB2 P47870 3/20 0.41
GABRA4 P48169 3/20 0.41
GABRE P78334 3/20 0.41
GABRA6 Q16445 3/20 0.41
GABRG1 Q8N1C3 3/20 0.41
GABRG3 Q99928 3/20 0.41
GABRQ Q9UN88 3/20 0.41
AKR1C2 P52895 1/20 0.40
AKR1C1 Q04828 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL19913396 0.83 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL21339634 0.73 TDP1 (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30940155 0.73 TDP1 (0.66) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1680783 0.72 ALDH1A1 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL20552328 0.71 TDP1 (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17797891 0.71 ALDH1A1 (0.46) AKR1C2AKR1C1ALDH1A1TDP1POLB
SCHEMBL27907009 0.70 KDM4E (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL167457 0.70 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL920297 0.69 GABRP (0.64) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL921607 0.69 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors ASTRAZENECA AB (SE) 2008-10-30 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 (1 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-20080269214-A1 Pyrrole Derivatives as Dna Gyrase and Topoisomerase Inhibitors TOP1, TOP2A, TOP2B GABRP 2805/4885GABRD 3017/4885GABRA1 4252/4885

“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.