SCHEMBL6831019

SCHEMBL6831019

Nc1cccc(/C(=C\C(=O)O)c2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.59
NPSR1 Q6W5P4 2/20 0.46
NPC1 O15118 1/20 0.44
MITF O75030 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
KDM4C Q9H3R0 1/20 0.43
F2 P00734 1/20 0.43
PLG P00747 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
HDAC1 Q13547 1/20 0.41
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 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
SCHEMBL6831023 1.00 PBRM1 (0.59) PBRM1NPSR1NPC1MITFLMNA
SCHEMBL63954 0.82 CES1 (0.50) NPSR1LMNAPOLBF2HDAC1
Hydrochloric Acid SCHEMBL4398755 0.80 NFE2L2 (0.48) NPSR1LMNAPOLBF2HDAC1
SCHEMBL6836053 0.79 PBRM1 (0.47) PBRM1NPC1MITFLMNAPOLB
SCHEMBL6833412 0.79 PBRM1 (0.47) PBRM1NPC1MITFLMNAPOLB
SCHEMBL6833411 0.79 PBRM1 (0.47) PBRM1NPC1MITFLMNAPOLB
SCHEMBL22347566 0.79 PBRM1 (0.55) PBRM1NPSR1NPC1MITFLMNA
SCHEMBL10349540 0.79 PBRM1 (0.55) PBRM1NPSR1NPC1MITFLMNA
SCHEMBL10609132 0.76 GSK3B (0.47) PBRM1NPC1POLBHDAC1HSD17B10
SCHEMBL10610739 0.76 PDPK1 (0.41) PBRM1POLBALDH1A1

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-20040029928-A1 Novel propenohydroxamic acid derivatives WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2004-02-12 US disclosed
EP-1314721-A1 NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2003-05-28 EP 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-20040029928-A1 Novel propenohydroxamic acid derivatives TNF, SI, HDGF PBRM1 3620/4885NPSR1 2260/4885NPC1 2393/4885

“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.