SCHEMBL6806463

SCHEMBL6806463

O=C(N1CCC(N2CCCCC2)CC1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 15/20 0.61
L3MBTL1 Q9Y468 13/20 0.61
MBTD1 Q05BQ5 5/20 0.61
TP53BP1 Q12888 2/20 0.58
L3MBTL4 Q8NA19 1/20 0.58
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL27598275 0.98 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL920191 0.86 L3MBTL3 (0.61) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3155682 0.84 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL920485 0.84 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL3857679 0.84 ALDH1A1 (0.61) L3MBTL3L3MBTL1ALDH1A1
SCHEMBL4669864 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5367596 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL19509515 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL5367594 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL422889 0.83 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1501933-A Novel 10-cyclohexenylpyrrolobenzodiazepines * -3-carboxamides and derivatives thereof; tocolytic oxytocin receptor antagonists 2004-06-02 CN disclosed
US-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient TORAY INDUSTRIES, INC. (JP) 2004-02-26 US disclosed
EP-1323709-A1 UREA DERIVATIVE AND ADHESIVE-MOLECULE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2003-07-02 EP 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-20040039040-A1 Urea derivative and adhesive-molecule inhibitor containing the same as active ingredient ICAM1, VCAM1, EPCAM L3MBTL3 4866/4885L3MBTL1 4736/4885MBTD1 816/4885

“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.