SCHEMBL5962440

SCHEMBL5962440

CCCCOC(=O)NCCOc1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
STAT3 P40763 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
NPC1 O15118 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACHE P22303 7/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ALDH1A1 P00352 1/20 0.48
FAAH O00519 1/20 0.47

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
SCHEMBL7201443 0.82 NR5A1 (0.65) MAPTL3MBTL1ACHE
SCHEMBL16246082 0.82 ACHE (0.55) LMNACYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL9634358 0.81 FAAH (0.56) LMNASMN1; SMN2MAPTL3MBTL1ACHE
SCHEMBL7194383 0.79 LTA4H (0.65) MAPTL3MBTL1ACHE
SCHEMBL7947076 0.78 CYP2D6 (0.81) LMNASMN1; SMN2STAT3CYP3A4CYP2D6
SCHEMBL30553757 0.78 MGLL (0.64) ACHEMEN1KMT2AALDH1A1
SCHEMBL23291110 0.77 GLA (0.51) LMNASMN1; SMN2CYP3A4CYP2D6ACHE
SCHEMBL29602673 0.77 MTNR1A (0.70) LMNASMN1; SMN2STAT3NPC1L3MBTL1
SCHEMBL2274822 0.77 CYP2D6 (0.64) LMNASMN1; SMN2STAT3CYP3A4CYP2D6
SCHEMBL1678088 0.77 CA12 (0.64) CYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7098226-B2 TNF-α production inhibitors SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-29 US disclosed
US-20030032623-A1 Tnf-alpha production inhibitors AYUMI PHARMACEUTICAL CORPORATION (JP) 2003-02-13 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-20030032623-A1 Tnf-alpha production inhibitors TNF, TNFRSF1A, TNFRSF9 LMNA 4715/4885SMN1; SMN2 4171/4885STAT3 2905/4885

“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.