SCHEMBL22778482

SCHEMBL22778482

CNS(=O)(=O)[C@@H]1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
GABRG2 P18507 1/20 0.41
NFKB1 P19838 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRA6 Q16445 1/20 0.41
APLNR P35414 2/20 0.41
KCNH2 Q12809 1/20 0.33

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
SCHEMBL477311 1.00 LMNA (0.41) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL22491829 0.98 LMNA (0.40) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL25040585 0.88 APLNR (0.57) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL720094 0.86 GABRA1 (0.50) LMNACYP3A4GABRA1TSHRGABRG2
Hydrochloric Acid SCHEMBL27906335 0.84 GABRA1 (0.48) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL17113798 0.81
SCHEMBL116683 0.75
SCHEMBL1872649 0.75
SCHEMBL5035847 0.75
SCHEMBL314413 0.73

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-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B LMNA 897/4885CYP3A4 108/4885GABRA1 3954/4885

“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.