SCHEMBL6080834

SCHEMBL6080834

CCCCC(C(=O)O)c1ccccc1N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNQ2 O43526 9/20 0.49
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP3A4 P08684 2/20 0.45
▸ KCNQ3 O43525 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KCNE1 P15382 1/20 0.45
▸ KCNQ1 P51787 1/20 0.45
▸ KCNQ4 P56696 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ SLC22A1 O15245 1/20 0.40

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
SCHEMBL6081054 0.82 KCNQ2 (0.56) KCNQ2LMNACYP3A4KCNQ3CYP1A2
SCHEMBL5795936 0.82 LMNA (0.44) KCNQ2LMNAALDH1A1CYP3A4KCNQ3
SCHEMBL5792763 0.78 KEAP1 (0.44) KCNQ2LMNAALDH1A1NPC1GAA
Hydrochloric Acid SCHEMBL17871814 0.77 KEAP1 (0.42) KCNQ2LMNAALDH1A1NPC1GAA
SCHEMBL28876528 0.77 KCNQ2 (0.53) KCNQ2CYP3A4KCNQ3CYP1A2CYP2D6
SCHEMBL7889064 0.76 KCNQ2 (0.47) KCNQ2LMNAALDH1A1CYP3A4KCNQ3
SCHEMBL11275499 0.76 KCNQ2 (0.52) KCNQ2CYP3A4KCNQ3CYP1A2CYP2D6
SCHEMBL5792347 0.75 ALDH1A1 (0.39) KCNQ2LMNAALDH1A1POLBMEN1
SCHEMBL2517311 0.74 TSHR (0.46) LMNAALDH1A1POLBMEN1KMT2A
SCHEMBL10976123 0.74 CNR2 (0.42) ALDH1A1CYP3A4POLBMEN1KMT2A

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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses GENFIT (FR) 2006-04-13 — — 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-20060079696-A1 Substituted compounds derived from N-(benzyl)phenylacetamide, preparation and uses AADAC, NAT1, PARN KCNQ2 1084/4885LMNA 1111/4885ALDH1A1 845/4885

“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.

Send feedback