SCHEMBL819922

SCHEMBL819922

O=C(OCc1ccccc1)N1CCCC1CC1=C[NH+]([O-])c2ncccc21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CTRB1 P17538 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2B Q13224 1/20 0.40
PRCP P42785 1/20 0.40
ACE2 Q9BYF1 1/20 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
SCHEMBL818162 0.73 TSHR (0.43) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL820840 0.73 TSHR (0.43) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL27821707 0.72 DRD2 (0.46) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL818648 0.72 TSHR (0.45) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL820255 0.72 DRD2 (0.46) PREPTSHRL3MBTL1KDM4ELMNA
SCHEMBL820466 0.72 TSHR (0.45) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL5267939 0.72 SPHK2 (0.58) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL809494 0.72 SPHK2 (0.58) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL4602602 0.72 SPHK2 (0.58) PREPTSHRL3MBTL1KLK7KLK5
SCHEMBL29599061 0.71 PREP (0.53) PREPTSHRL3MBTL1KLK7KLK5

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-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 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-20110288116-A1 IAP INHIBITORS XIAP, BIRC5, BIRC7 PREP 221/4885TSHR 4584/4885L3MBTL1 2036/4885

“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.