SCHEMBL3547086

SCHEMBL3547086

CCC1(C)NCCN(CC(=O)NCCN2CCOCC2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3545537 0.90 L3MBTL1 (0.41) GAAL3MBTL1KDM4EPOLBSMN1; SMN2
SCHEMBL3547224 0.72 HSD17B10 (0.38) L3MBTL1KDM4EPOLBTSHRHSD17B10
SCHEMBL23929061 0.71 SMN1; SMN2 (0.82) RXFP1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL84933 0.70 TSHR (0.59) POLBTSHRSMN1; SMN2HSD17B10KMT2A
SCHEMBL3545618 0.69 TSHR (0.43) GAAKDM4EPOLBTSHRSMN1; SMN2
SCHEMBL9299116 0.68 SMN1; SMN2 (0.70) RXFP1KDM4EPOLBTSHRSMN1; SMN2
SCHEMBL85431 0.67 TSHR (0.60) POLBTSHRSMN1; SMN2HSD17B10KMT2A
SCHEMBL3542513 0.67 OPRM1 (0.40) GAAL3MBTL1RXFP1KDM4ETP53
Hydrochloric Acid SCHEMBL5843426 0.66 TSHR (0.62) POLBTSHRSMN1; SMN2HSD17B10KMT2A
SCHEMBL22317521 0.66 POLB (0.55) POLBTSHRSMN1; SMN2HSD17B10KMT2A

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 GAA 1461/4885L3MBTL1 3206/4885RXFP1 2888/4885

“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.