SCHEMBL820539

SCHEMBL820539

CC(=O)O[C@H]1CCN[C@@H]1Cc1c(Cl)[nH]c2cc(F)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
EGFR P00533 1/20 0.32
CDK2 P24941 1/20 0.32
PARP1 P09874 1/20 0.32
XIAP P98170 1/20 0.32
BIRC3 Q13489 1/20 0.32
BIRC2 Q13490 1/20 0.32
BIRC7 Q96CA5 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
GSK3B P49841 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
CYP2D6 P10635 2/20 0.31

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
SCHEMBL818116 1.00 HTR2A (0.35) HTR2AKCNH2EGFRCDK2PARP1
SCHEMBL12405713 0.90 XIAP (0.40) HTR2AKCNH2EGFRCDK2PARP1
SCHEMBL820693 0.79 GPR84 (0.44) HTR2AMAPK1
SCHEMBL818210 0.75 BRD3 (0.36) HTR2AALDH1A1
SCHEMBL820302 0.75 BRD3 (0.36) HTR2AALDH1A1
SCHEMBL819386 0.72 KDM4E (0.34) EGFRMAPKAPK2MEN1KMT2AALDH1A1
SCHEMBL820310 0.72 KDM4E (0.34) EGFRMAPKAPK2MEN1KMT2AALDH1A1
SCHEMBL820542 0.72 BIRC3 (0.33) XIAPBIRC3BIRC2BIRC7
SCHEMBL818763 0.72 BIRC3 (0.33) XIAPBIRC3BIRC2BIRC7
SCHEMBL25461053 0.68 BIRC3 (0.45) HTR2AKCNH2EGFRCDK2XIAP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
US-20110288116-A1 IAP INHIBITORS TETRALOGIC PHARMACEUITCAL CORPORATION (US) 2011-11-24 US disclosed
WO-2009094287-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICAL CORPORATION (US) 2009-07-30 WO 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 HTR2A 4844/4885KCNH2 3920/4885EGFR 4061/4885

“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.