SCHEMBL949360

SCHEMBL949360

CC(C(=O)O)n1c(Cc2ccccc2)ccc(N)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.41
IL1B P01584 1/20 0.41
IDH1 O75874 8/20 0.41
TBXAS1 P24557 1/20 0.38
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRR Q9GZT4 2/20 0.36
USP5 P45974 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL949330 0.88 IDH1 (0.39) CASP1IL1BIDH1KDM4EMEN1
SCHEMBL2801277 0.87 CASP1 (0.41) CASP1IL1BIDH1TBXAS1KDM4E
SCHEMBL27501506 0.84 CASP1 (0.42) CASP1IL1BIDH1TBXAS1KMT2A
SCHEMBL949769 0.83 CASP1 (0.33) CASP1IL1BIDH1
SCHEMBL951482 0.78 GABRP (0.34) KDM4EMAPTHSD17B10ALOX5
SCHEMBL4496457 0.77 KDM4E (0.52) CASP1IL1BIDH1TBXAS1KDM4E
SCHEMBL27473868 0.77 GAA (0.40) CASP1IL1BIDH1MEN1MAPT
SCHEMBL950205 0.75 ELANE (0.45) KDM4EMAPTCYP2C9CYP2C19KMT2A
SCHEMBL949978 0.75 CASP1 (0.69) CASP1IL1BKDM4EMEN1POLB
SCHEMBL8402040 0.74 KDM4E (0.38) KDM4EMEN1POLBKMT2AUSP5

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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-01-20 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-20110015371-A1 Inhibitors of interleukin-1 beta converting enzyme IL1B, IL1A, IL1R1 CASP1 5/4885IL1B 1/4885IDH1 1052/4885

“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.