SCHEMBL6901401

SCHEMBL6901401

CCCCCS(=O)(=O)N1CCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
L3MBTL1 Q9Y468 4/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
RECQL P46063 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX15 P16050 1/20 0.38
CA2 P00918 1/20 0.38
GAA P10253 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL1069645 1.00 FAAH (0.41) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL2817480 0.98 L3MBTL1 (0.42) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL24767441 0.98 FAAH (0.45) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL6894873 0.98 L3MBTL1 (0.42) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL7863051 0.96 FAAH (0.43) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL18937755 0.96 FAAH (0.43) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL6897801 0.96 FAAH (0.41) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL6897804 0.96 FAAH (0.41) FAAHL3MBTL1TSHRMAPK1RECQL
SCHEMBL13013076 0.93 L3MBTL1 (0.41) L3MBTL1TSHRMAPK1RECQLALOX15
SCHEMBL1321117 0.91 TSHR (0.44) L3MBTL1TSHRMAPK1RECQLMEN1

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-6734311-B2 ANTIINFLAMMATORY AGENTS; ALZHEIMER'S DISEASE; CARDIOVASCULAR DISORDERS MERCK & CO., INC. 2004-05-11 US disclosed
US-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion MERCK & CO., INC. 2003-05-15 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-20030092746-A1 Substituted amidine derivatives as inhibitors of cell adhesion VCAM1, CD4, ICAM1 FAAH 795/4885L3MBTL1 2016/4885TSHR 1467/4885

“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.