SCHEMBL6474876

SCHEMBL6474876

CC(C)(C)OC(=O)c1ccc2n[nH]c(=O)n2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.47
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TET2 Q6N021 1/20 0.34
OGFOD1 Q8N543 1/20 0.34
TET1 Q8NFU7 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34
CRBN Q96SW2 1/20 0.34

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
SCHEMBL217465 0.81 KDM4E (0.45) SCN5ACA12CA1CA2CA9
SCHEMBL7307719 0.78 SCN5A (0.48) SCN5ACA2ALDH1A1ELANENOTUM
SCHEMBL16154734 0.71 SCN5A (0.48) SCN5AALDH1A1NOTUM
SCHEMBL19584476 0.69 ALDH1A1 (0.37) SCN5AGABRA1GABRG2GABRB3GABRA3
SCHEMBL109451 0.69 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL19583927 0.66 CHEK1 (0.38) CHEK1NOTUM
Hydrazine SCHEMBL10771056 0.66 CA12 (0.62) CA12CA1CA2CA9CA14
SCHEMBL252266 0.65 SCN5A (0.48) SCN5ACHEK1NOTUM
SCHEMBL6724420 0.65 SCN5A (0.55) SCN5AALDH1A1NOTUM
SCHEMBL17403215 0.65 TDP1 (0.47) SCN5ACHEK1NOTUM

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
US-6867208-B2 Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 2005-03-15 US disclosed
US-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use GENENTECH, INC. AND HOECHST AKTIENGESELLSCHAFT 2003-02-06 US disclosed
US-6387895-B1 BONE DISORDERS; CARDIOVASCULAR DISORDERS HOECHST AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6207663-B1 AS INHIBITORS OF BONE RESORPTION, TUMOR GROWTH, TUMOR METASTASIS, OR INFLAMMATION, OR FOR THE TREATMENT OR PROPHYLAXIS OF CARDIOVASCULAR DISORDERS, NEPHROPATHIES OR RETINOPATHIES HOECHST ATKIENGESELLSCHAFT (DE) 2001-03-27 US disclosed
US-6011045-A Vitronectin receptor antagonists, their preparation and their use HOECHST AKTIENGESELLSCHAFT 2000-01-04 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-20030027807-A1 Vitronectin receptor antagonists, their preparation and their use ADGRF1, ADGRE5, BSG SCN5A 2322/4885CA12 3181/4885CA1 3563/4885

“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.