SCHEMBL4470783

SCHEMBL4470783

C#CCCNc1ncccn1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HPGD P15428 1/20 0.44
FDPS P14324 1/20 0.35
SLC47A1 Q96FL8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
DPP4 P27487 1/20 0.31

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
SCHEMBL7216449 0.89 ALDH1A1 (0.60) ALDH1A1HPGDFDPSSLC47A1SMN1; SMN2
SCHEMBL1413128 0.77 ALDH1A1 (0.54) ALDH1A1HPGDFDPS
SCHEMBL146980 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1ADRA1D
SCHEMBL1270863 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1
SCHEMBL18135161 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1ADRA1D
SCHEMBL146981 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPS
SCHEMBL12199241 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1ADRA1D
SCHEMBL11497625 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1
SCHEMBL4748034 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1ADRA1D
SCHEMBL30775394 0.70 ALDH1A1 (0.71) ALDH1A1HPGDFDPSSLC47A1ADRA1D

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-7582771-B2 Process for the synthesis of cPLA2 inhibitors WYETH (US) 2009-09-01 US disclosed
US-20050049296-A1 Process for the synthesis of cPLA2 inhibitors WYETH (US) 2005-03-03 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-20050049296-A1 Process for the synthesis of cPLA2 inhibitors PLA2G12A, ACOX3, CPA2 ALDH1A1 1353/4885HPGD 709/4885FDPS 2948/4885

“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.