SCHEMBL4914765

SCHEMBL4914765

O=C(O)c1c(Cl)c2cc(C#Cc3ccccc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.39
EDNRA P25101 4/20 0.36
GRM4 Q14833 1/20 0.36
HRH3 Q9Y5N1 3/20 0.35
KCNH2 Q12809 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
FAAH O00519 1/20 0.34

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
SCHEMBL4922812 0.89 THRB (0.41) ACACBMEN1KMT2A
SCHEMBL4701387 0.83 EPHX2 (0.36) ACACBEDNRAHRH3KCNH2
SCHEMBL3577481 0.83 EPHX2 (0.36) ACACBEDNRAHRH3KCNH2MEN1
SCHEMBL4912750 0.82 EPHX2 (0.41) HRH3KCNH2FAAH
SCHEMBL4922019 0.79 EPHX2 (0.36) HRH3KCNH2FAAH
SCHEMBL4922516 0.78 EPHX2 (0.44) FAAH
SCHEMBL4922648 0.78 MEN1 (0.37) ACACBEDNRAMEN1HTTKMT2A
SCHEMBL3583067 0.76 KMO (0.38) EDNRAHRH3KCNH2
SCHEMBL3571629 0.73 EGLN1 (0.40) ACACBKCNH2
SCHEMBL4914773 0.73 PDE4A (0.36) ACACBEDNRAHRH3KCNH2FAAH

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-20080249091-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2008-10-09 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-20080249091-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, ARG1 ACACB 3817/4885EDNRA 39/4885GRM4 1480/4885

“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.