SCHEMBL9979308

SCHEMBL9979308

CCNC(=O)c1cc(C(=O)NCC)cc(C(=O)NCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MEN1 O00255 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGDS O60760 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42

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
SCHEMBL16317402 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL13714731 0.91 BRD4 (0.44) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL19982707 0.91 SMN1; SMN2 (0.43) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL15835231 0.89 L3MBTL1 (0.56) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL1003870 0.86 GAA (0.54) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL13435320 0.86 MEN1 (0.47) SMN1; SMN2MAPTRAB9AL3MBTL1KMT2A
SCHEMBL9713054 0.86 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1KMT2AGAAHSD17B10
SCHEMBL13752995 0.84 RAB9A (0.59) MAPTRAB9AKMT2AGAAMEN1
SCHEMBL328703 0.84 KDM4E (0.61) SMN1; SMN2MAPTL3MBTL1GAAHSD17B10
SCHEMBL13753066 0.84 CES2 (0.48) SMN1; SMN2MAPTRAB9AL3MBTL1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC (US) 2014-05-08 US disclosed
US-8642554-B2 Smac mimetic dimers and trimers useful as anti-cancer agents JOYANT PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
US-8492468-B2 Polypropylene resin composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-23 US disclosed
US-20110301268-A1 POLYPROPYLENE RESIN COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-12-08 US disclosed
US-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS JOYANT PHARMACEUTICALS, INC (US) 2009-04-23 US disclosed
US-7390351-B2 Electrets and compounds useful in electrets 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-24 US disclosed
US-20070180997-A1 ELECTRETS AND COMPOUNDS USEFUL IN ELECTRETS 3M INNOVATIVE PROPERTIES COMPANY 2007-08-09 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 (2 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-20090104151-A1 SMAC MIMETIC DIMERS AND TRIMERS USEFUL AS ANTI-CANCER AGENTS BID, BAD, BIRC3 SMN1; SMN2 101/4885MAPT 3858/4885RAB9A 3494/4885
US-20140127155-A1 Smac mimetic dimers and trimers useful as anti-cancer agents BID, BAD, BIRC3 SMN1; SMN2 101/4885MAPT 3858/4885RAB9A 3494/4885

“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.