SCHEMBL5482047

SCHEMBL5482047

C=CCN(CC=C)C(=O)c1[c]cccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
HPGD P15428 2/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.38
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
CCR6 P51684 1/20 0.38
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 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
SCHEMBL3563895 0.77 HPGD (0.47) ALDH1A1HPGDLMNAMAPTKMT2A
SCHEMBL483123 0.75 TP53 (0.58) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL425509 0.74 TP53 (0.52) ALDH1A1HPGDPOLBSMN1; SMN2CYP1A2
SCHEMBL5138935 0.74 CYP3A4 (0.34) ALDH1A1HPGDSMN1; SMN2CYP1A2LMNA
SCHEMBL8542937 0.73 ALDH1A1 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL176484 0.73 TSHR (0.53) ALDH1A1HPGDPOLBSMN1; SMN2CYP1A2
SCHEMBL5862062 0.72 HPGD (0.47) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL7584948 0.71 TP53 (0.45) HPGDLMNAMAPT
SCHEMBL160477 0.71 SMN1; SMN2 (0.40) ALDH1A1HPGDSMN1; SMN2LMNAMEN1
SCHEMBL4282153 0.71 AKT1 (0.48) ALDH1A1HPGDSMN1; SMN2ALOX12MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators NEUROSEARCH A/S (DK) 2007-12-20 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-20070293553-A1 Diphenylurea Derivatives Useful As Potassium Channel Activators KCNJ2, KCNH2, KCNH3 ALDH1A1 418/4885HPGD 618/4885POLB 2215/4885

“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.