SCHEMBL6773573

SCHEMBL6773573

COC(=O)CN1C(=O)CNC1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 4/20 0.55
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.40
BRD4 O60885 2/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
ATAD2 Q6PL18 1/20 0.39
CECR2 Q9BXF3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16223202 0.82 TSHR (0.58) TSHRALDH1A1LMNAGSK3AGSK3B
SCHEMBL13629854 0.79 TSHR (0.68) TSHRALDH1A1POLBLMNABRD4
SCHEMBL4597653 0.76 TSHR (1.00) TSHRALDH1A1POLBLMNAGSK3A
SCHEMBL2754581 0.76 ALDH1A1 (0.49) TSHRALDH1A1POLBLMNABRD4
SCHEMBL2485668 0.76 TSHR (0.63) TSHRALDH1A1POLBBRD4GSK3A
SCHEMBL20393489 0.76 TSHR (0.63) TSHRALDH1A1POLBLMNABRD4
SCHEMBL4655219 0.73 LMNA (0.42) TSHRALDH1A1POLBLMNABRD4
SCHEMBL1346189 0.73 ALDH1A1 (0.51) ALDH1A1POLBLMNAKDM4ESMN1; SMN2
SCHEMBL17160680 0.72 TSHR (0.48) TSHRALDH1A1POLBLMNAGSK3A
SCHEMBL7454709 0.72 TSHR (0.63) TSHRALDH1A1POLBLMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828320-B2 Enzyme inhibitors; anticancer agents SMITHKLINE BEECHAM CORPORATION 2004-12-07 US disclosed
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020147214-A1 Heterocyclic compounds NOVARTIS AG (CH) 2002-10-10 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
US-6391874-B1 ANTICARCINOGENIC AGENTS; SKIN DISORDERS SMITHKLINE BEECHAM CORPORATION 2002-05-21 US disclosed
EP-0796855-B1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2002-02-06 EP disclosed
CN-1072647-C Novel inhibitors of bone resorption and antagonists of vitronectin receptors HOECHST AG (DE) 2001-10-10 CN disclosed
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 US disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
EP-0912559-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1999-05-06 EP disclosed
CN-1206005-A Novel inhibitors of bone resorption and antagonists of vitronectin receptors HOECHST AG (DE) 1999-01-27 CN disclosed
WO-1998002434-A1 FUSED HETEROCYCLIC COMPOUNDS AS PROTEIN TYROSINE KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 1998-01-22 WO disclosed
EP-0796855-A1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-24 EP 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 (3 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-20020147214-A1 Heterocyclic compounds BRAF, ABL1, CSK TSHR 3537/4885ALDH1A1 4024/4885POLB 1930/4885
US-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TSHR 631/4885ALDH1A1 4551/4885POLB 4814/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST TSHR 631/4885ALDH1A1 4551/4885POLB 4814/4885

“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.