SCHEMBL3538528

SCHEMBL3538528

CNC(=O)CCNCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
EPHX1 P07099 1/20 0.36
ANPEP P15144 3/20 0.35
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
EPHX2 P34913 2/20 0.33

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
SCHEMBL3936104 0.86 TSHR (0.36) LMNASMYD3SCN1ASCN2ASCN3A
SCHEMBL22622460 0.81 LMNA (0.52) LMNAALDH1A1POLBMCL1
SCHEMBL3549261 0.81 LMNA (0.40) LMNAANPEPALDH1A1POLBHPGD
SCHEMBL12791478 0.79 LMNA (0.50) LMNAALDH1A1POLBMCL1
SCHEMBL12847460 0.79 LMNA (0.50) LMNAALDH1A1POLBMCL1
SCHEMBL12942607 0.78 LMNA (0.38) LMNAALDH1A1POLB
SCHEMBL13589517 0.77 ALDH1A1 (0.41) LMNASMYD3CYP2D6CYP2C19SCN1A
SCHEMBL12413734 0.77 CYP2D6 (0.46) LMNACYP2D6CYP2C19SCN1ASCN2A
SCHEMBL18743848 0.77 CYP2D6 (0.41) LMNACYP2D6CYP2C19SCN1ASCN2A
SCHEMBL12762408 0.76 CYP2C19 (0.39) SMYD3CYP2D6CYP2C19SCN1ASCN2A

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 LMNA 1996/4885SMYD3 4712/4885CYP2D6 92/4885

“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.