SCHEMBL4806945

SCHEMBL4806945

CCOC(=O)/C(=N\O)c1csc(-c2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
MAPT P10636 5/20 0.52
KMT2A Q03164 5/20 0.52
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
RECQL P46063 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RAB9A P51151 2/20 0.48
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
LMNA P02545 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL4806955 1.00 MEN1 (0.52) MEN1MAPTKMT2AGAANPSR1
SCHEMBL21601974 0.82 HDAC1 (0.51) MAPTGAANPSR1TDP1HDAC1
SCHEMBL2080725 0.81 RAB9A (0.68) MEN1MAPTKMT2AGAANPSR1
SCHEMBL7118959 0.81 HDAC1 (0.59) MEN1MAPTKMT2AGAANPSR1
SCHEMBL7118960 0.81 HDAC1 (0.59) MEN1MAPTKMT2AGAANPSR1
SCHEMBL30194989 0.80 HDAC1 (0.49) GAATDP1HDAC1HDAC8HDAC6
SCHEMBL4837032 0.80 MEN1 (0.47) MEN1MAPTKMT2AGAANPSR1
SCHEMBL4837027 0.80 MEN1 (0.47) MEN1MAPTKMT2AGAANPSR1
SCHEMBL9659691 0.80 MEN1 (0.47) MEN1MAPTKMT2AGAANPSR1
SCHEMBL9074635 0.79 MEN1 (0.46) MEN1MAPTKMT2AGAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 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 (4 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MEN1 2767/4885MAPT 4112/4885KMT2A 2346/4885
US-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 MEN1 2414/4885MAPT 4785/4885KMT2A 3543/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 MEN1 2794/4885MAPT 4440/4885KMT2A 3553/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 MEN1 2767/4885MAPT 4112/4885KMT2A 2346/4885

“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.