SCHEMBL6653846

SCHEMBL6653846

CCN(CC)c1ccc(N)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 3/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
GFER P55789 2/20 0.54
PSMD14 O00487 1/20 0.54
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.54
S100B P04271 1/20 0.46
NOS3 P29474 1/20 0.45
NOS2 P35228 1/20 0.45
TERT O14746 1/20 0.42
AOC3 Q16853 1/20 0.41
ALDH3A1 P30838 1/20 0.41
ALDH1A3 P47895 1/20 0.41
NPC1 O15118 4/20 0.37
KDM4E B2RXH2 4/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GBA1 P04062 1/20 0.37

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
SCHEMBL24374911 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL29618548 0.83 ALDH1A1 (0.38) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL15650364 0.82 NOS3 (0.43) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL10622006 0.77 GBA1 (0.62) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL13942706 0.77 ALDH1A1 (0.45) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL30565568 0.76 NOS3 (0.50) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL1097471 0.76 NOS3 (0.50) ALDH1A1MAPK1CYP3A4TDP1TSHR
SCHEMBL23107378 0.75 HSD17B10 (0.36) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1
SCHEMBL23634062 0.75 NOS2 (0.45) ALDH1A1MAPK1CYP3A4TDP1NOS3
SCHEMBL21209067 0.75 ALDH1A1 (0.43) ALDH1A1MAPK1L3MBTL1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1423368-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-06-02 EP disclosed
US-6610714-B2 HIV viricides MEDIVIR AB (SE) 2003-08-26 US disclosed
US-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-05-15 US disclosed
WO-2003020705-A1 UREA AND THIOUREA DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2003-03-13 WO disclosed
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 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-20030092743-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS SUB1, HCFC1, CCR1 ALDH1A1 848/4885MAPK1 1395/4885L3MBTL1 199/4885

“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.