SCHEMBL6806462

SCHEMBL6806462

O=C(N1CCCCC1C1CCNCC1)N1CCCCC1C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
CA2 P00918 1/20 0.38
CHKA P35790 1/20 0.38
CNR2 P34972 1/20 0.36
HSD11B1 P28845 5/20 0.36
HSD17B1 P14061 1/20 0.35
EPHX1 P07099 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35

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
SCHEMBL16992178 0.87 NPC1 (0.42) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL18241087 0.86 L3MBTL1 (0.39) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL28414182 0.84 L3MBTL3 (0.38) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL794610 0.82 NPC1 (0.53) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL19974288 0.81 NPC1 (0.43) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL15533257 0.81 NPC1 (0.43) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL30032926 0.78 NR1H2 (0.43) NPC1HPGDEPHX1
SCHEMBL22130580 0.76 NPC1 (0.46) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3932469 0.76 GAA (0.35) L3MBTL3L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL28421387 0.75 L3MBTL3 (0.37) L3MBTL3L3MBTL1TDP1GAAEPHX1

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-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 4736/4885NPC1 3824/4885

“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.