SCHEMBL6077876

SCHEMBL6077876

CCC(NC(=O)O)C(=O)NCc1cc(Cl)ccc1-n1cncn1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.56
L3MBTL1 Q9Y468 1/20 0.44
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
SETDB1 Q15047 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
S1PR3 Q99500 1/20 0.41
MASP2 O00187 1/20 0.41

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
SCHEMBL6077859 1.00 F2 (0.56) F2L3MBTL1APOBEC3AAPOBEC3GSETDB1
SCHEMBL6077693 0.88 F2 (0.53) F2L3MBTL1APOBEC3AAPOBEC3GSETDB1
SCHEMBL6078157 0.85 F2 (0.47) F2L3MBTL1APOBEC3AAPOBEC3GMEN1
SCHEMBL6078817 0.85 F2 (0.54) F2L3MBTL1APOBEC3AAPOBEC3GSETDB1
SCHEMBL6078779 0.84 F2 (0.57) F2MASP2
SCHEMBL6078787 0.84 F2 (0.57) F2MASP2
SCHEMBL6078150 0.82 F2 (0.47) F2L3MBTL1APOBEC3AAPOBEC3GMEN1
SCHEMBL6077685 0.80 F2 (0.53) F2L3MBTL1APOBEC3AAPOBEC3GMEN1
SCHEMBL6077696 0.76 F2 (0.50) F2L3MBTL1APOBEC3AAPOBEC3GSETDB1
SCHEMBL17232477 0.75 L3MBTL1 (0.50) F2L3MBTL1APOBEC3AAPOBEC3GMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885L3MBTL1 1373/4885APOBEC3A 3934/4885

“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.