SCHEMBL3545537

SCHEMBL3545537

CCC1(C)NCCN(CC(=O)NCCN2CCCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 2/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRA1D P25100 2/20 0.37
ADRA1A P35348 2/20 0.37
ADRA1B P35368 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 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
SCHEMBL3547086 0.90 GAA (0.44) L3MBTL1KMT2AGAASMN1; SMN2KDM4E
SCHEMBL3555724 0.82 L3MBTL1 (0.38) L3MBTL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL3547224 0.75 HSD17B10 (0.38) L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL3552851 0.72 POLB (0.35) L3MBTL1KMT2AGAANPSR1POLB
SCHEMBL3542513 0.69 OPRM1 (0.40) L3MBTL1ALDH1A1KMT2AGAAKDM4E
SCHEMBL11559597 0.68 ADRA1D (0.56) ALDH1A1KMT2AADRA1DADRA1AADRA1B
SCHEMBL84386 0.67 CA12 (0.55) ALDH1A1KMT2ACYP2D6GAASMN1; SMN2
SCHEMBL4283848 0.67 ALDH1A1 (0.81) L3MBTL1ALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL3548903 0.67
SCHEMBL3546208 0.66 KDM4E (0.33) ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7741479-B2 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. (US) 2010-06-22 US disclosed
EP-1828169-A2 UREA INHIBITORS OF MAP KINASES Locus Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060167247-A1 Urea inhibitors of MAP kinases LOCUS PHARMACEUTICALS, INC. 2006-07-27 US disclosed
WO-2006062982-A2 UREA INHIBITORS OF MAP KINASES LOCUS PHARMACEUTICALS, INC. (US) 2006-06-15 WO 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-20060167247-A1 Urea inhibitors of MAP kinases MAPK1, MAP3K1, MAP3K20 L3MBTL1 3206/4885ALDH1A1 2027/4885KMT2A 2250/4885

“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.