SCHEMBL5633433

SCHEMBL5633433

CCCCN1C(=O)C(=C(N)N)C(=O)N(C2CCCCCCC2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.37
HTT P42858 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
CREBBP Q92793 1/20 0.37
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 1/20 0.33
CYP19A1 P11511 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5633330 1.00 CDC25B (0.38) CDC25BALDH1A1MAPTHTTCYP2C9
SCHEMBL5634034 1.00 CDC25B (0.38) CDC25BALDH1A1MAPTHTTCYP2C9
SCHEMBL5634058 0.99 CDC25B (0.37) CDC25BALDH1A1MAPTHTTCYP2C9
SCHEMBL30943167 0.88 ALDH1A1 (0.33) ALDH1A1MAPTL3MBTL1CYP19A1
SCHEMBL30942848 0.87 ALDH1A1 (0.33) CDC25BALDH1A1MAPTL3MBTL1CYP19A1
SCHEMBL30942880 0.84 ALDH1A1 (0.31) ALDH1A1MAPTCYP19A1
SCHEMBL30942726 0.83 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL30942907 0.83 L3MBTL1 (0.31) ALDH1A1MAPTL3MBTL1
SCHEMBL30942965 0.83 ADORA1 (0.34) ALDH1A1MAPTCYP2C9CYP2C19L3MBTL1
SCHEMBL30943131 0.82 BACE1 (0.30) ALDH1A1MAPTBACE1BACE2CYP19A1

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-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US claimed
US-20070123548-A1 Pth agonists COWAN DAVID J 2007-05-31 US disclosed
EP-1713782-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-25 EP disclosed
WO-2005077918-A1 PTH AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20070123548-A1 Pth agonists PTH1R, SSTR3, CALCR CDC25B 3431/4885ALDH1A1 3899/4885MAPT 4835/4885

“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.