SCHEMBL7217485

SCHEMBL7217485

Nc1ccccc1NC(=S)NCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
HDAC1 Q13547 13/20 0.50
HDAC3 O15379 10/20 0.50
HDAC2 Q92769 10/20 0.50
NCOR2 Q9Y618 6/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC6 Q9UBN7 5/20 0.50
HDAC4 P56524 4/20 0.50
HDAC7 Q8WUI4 4/20 0.50
HDAC11 Q96DB2 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
HDAC9 Q9UKV0 4/20 0.50
HDAC5 Q9UQL6 4/20 0.50
ITGB3 P05106 1/20 0.49
ITGAV P06756 1/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL5411991 0.84 HDAC3 (0.51) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL5025569 0.78 SMN1; SMN2 (0.54) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL7212637 0.77 ALDH1A1 (0.64) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13728016 0.77 ALDH1A1 (0.64) CA1CA2HDAC1HDAC3HDAC2
SCHEMBL5025328 0.77 SMN1; SMN2 (0.52) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL12523223 0.76 HDAC1 (0.72) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL11761177 0.76 HDAC3 (0.56) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL3232775 0.73 HDAC1 (0.49) CA1CA2HDAC1HDAC3HDAC2
SCHEMBL17451394 0.73 HDAC1 (0.78) HDAC1HDAC3HDAC2NCOR2HDAC10
SCHEMBL15224204 0.73 KMT2A (0.60) CA1CA2MAPK1NPC1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US 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
CN-1206005-A Novel inhibitors of bone resorption and antagonists of vitronectin receptors HOECHST AG (DE) 1999-01-27 CN 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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CA1 3600/4885CA2 1522/4885HDAC1 2877/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CA1 3600/4885CA2 1522/4885HDAC1 2877/4885

“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.