SCHEMBL1105438

SCHEMBL1105438

C=CC(CCCC)CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CA1 P00915 2/20 0.42
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SOAT1 P35610 2/20 0.36
MEN1 O00255 1/20 0.36
FAAH O00519 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPK1 P28482 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
CNR1 P21554 1/20 0.34
GRIK1 P39086 1/20 0.34
DPP7 Q9UHL4 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL27533941 0.93 GPR84 (0.42) CA2SOAT1MEN1FAAHTP53
SCHEMBL8048415 0.82 TSHR (0.57) CA2CA1TSHRSMN1; SMN2SOAT1
SCHEMBL2133467 0.79
SCHEMBL585947 0.77 GPR84 (0.53) TSHR
SCHEMBL9015918 0.76 TSHR (0.50) CA2CA1TSHRSMN1; SMN2CYP3A4
SCHEMBL8604484 0.76 GPR84 (0.56) TSHRMEN1KMT2A
SCHEMBL28367216 0.76 GPR84 (0.56) TSHRMEN1KMT2A
SCHEMBL11850566 0.76 TSHR (0.48) CA2TSHRSMN1; SMN2SOAT1MEN1
SCHEMBL7338718 0.76 TSHR (0.48) CA2TSHRSMN1; SMN2SOAT1MEN1
SCHEMBL22270615 0.74 CA1 (0.37) CA2CA1TSHRSMN1; SMN2MEN1

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-8153655-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-10 US disclosed
US-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-08 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-20100087479-A1 Compositions Useful as Inhibitors of Voltage-Gated Sodium Channels SCNN1G, KCNN3, KCNN2 CA2 182/4885CA1 541/4885TSHR 4176/4885

“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.