SCHEMBL3546747

SCHEMBL3546747

CNC(=O)CCNC1CCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
EPHX1 P07099 3/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
EPHX2 P34913 2/20 0.38
KMT2A Q03164 2/20 0.38
CXCR4 P61073 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
VCP P55072 1/20 0.36
DPP4 P27487 1/20 0.36
FAP Q12884 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
MEN1 O00255 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
SCHEMBL13677593 0.96 SMN1; SMN2 (0.44) SMN1; SMN2LMNAEPHX1ALDH1A1KDM4E
SCHEMBL3541621 0.83 LMNA (0.35) LMNAVCP
SCHEMBL15374839 0.79 MEN1 (0.44) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL19621316 0.79 CXCR4 (0.39) SMN1; SMN2EPHX1ALDH1A1KDM4EEPHX2
SCHEMBL3545772 0.77 EPHX2 (0.46) SMN1; SMN2EPHX1ALDH1A1KDM4EEPHX2
SCHEMBL3543759 0.77 EPHX1 (0.47) SMN1; SMN2EPHX1ALDH1A1KDM4EEPHX2
SCHEMBL3992379 0.77 ALDH1A1 (0.48) SMN1; SMN2EPHX1ALDH1A1KDM4EEPHX2
SCHEMBL6972472 0.76 EPHX2 (0.57) SMN1; SMN2LMNAALDH1A1KDM4EEPHX2
SCHEMBL15374838 0.75 MEN1 (0.47) SMN1; SMN2LMNAALDH1A1KDM4EKMT2A
SCHEMBL16509284 0.75 CXCR4 (0.42) SMN1; SMN2EPHX1ALDH1A1KDM4EEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709471-B2 Compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
CN-101511836-A Fused pyrimido compounds ASTRAZENECA AB (SE) 2009-08-19 CN disclosed
EP-2046793-A2 FUSED PYRIMIDO COMPOUNDS AstraZeneca AB (SE) 2009-04-15 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 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 (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-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 SMN1; SMN2 1059/4885LMNA 1996/4885EPHX1 730/4885

“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.