SCHEMBL13544243

SCHEMBL13544243

CC(C)(C)C#Cc1ccc(C(=O)Nc2cccc3ccccc23)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.51
RORC P51449 1/20 0.51
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
LMNA P02545 3/20 0.44
CNR1 P21554 1/20 0.44

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
SCHEMBL3583759 0.88 TRPV1 (0.48) CNR1
SCHEMBL13544245 0.88 HSD17B10 (0.51) RORCHSD17B10NPC1RAB9AALDH1A1
SCHEMBL13544252 0.87 PKM (0.48) RORCHSD17B10NPC1RAB9AALDH1A1
SCHEMBL13993462 0.81 THRB (0.41) PTGESRORCNPC1RAB9AALDH1A1
SCHEMBL21828993 0.78 GRIK1 (0.64) PTGESRORCHSD17B10NPC1RAB9A
SCHEMBL13544248 0.77 RAB9A (0.47) HSD17B10NPC1RAB9AALDH1A1KMT2A
SCHEMBL3581729 0.77 KDR (0.56) HSD17B10NPC1RAB9AALDH1A1KMT2A
SCHEMBL5248115 0.77 KMT2A (0.35) RORCHSD17B10NPC1RAB9AALDH1A1
SCHEMBL21828995 0.76 PTGES (0.59) PTGESRORCHSD17B10NPC1RAB9A
SCHEMBL21828982 0.76 PTGES (0.59) PTGESRORCHSD17B10NPC1RAB9A

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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. (US) 2010-01-07 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-20100004222-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PTGES 202/4885RORC 2710/4885HSD17B10 3107/4885

“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.