SCHEMBL12247191

SCHEMBL12247191

CC(=O)NC1=C(Cl)CCC=C1C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.38
HSP90AB1 P08238 4/20 0.38
TDP1 Q9NUW8 1/20 0.34
PTK2 Q05397 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
S100A4 P26447 2/20 0.32
NSD2 O96028 1/20 0.32
HSD17B10 Q99714 4/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ABL1 P00519 1/20 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
SCHEMBL12247190 0.84 TAS2R38 (0.31)
SCHEMBL12247202 0.79 ALDH1A1 (0.35) HSP90AA1HSP90AB1TDP1ALDH1A1HPGD
SCHEMBL16372323 0.69
SCHEMBL29259671 0.64 HSP90AA1 (0.54) HSP90AA1HSP90AB1PTK2ALDH1A1S100A4
SCHEMBL23191901 0.64 TDP1 (0.35) TDP1ALDH1A1HPGDHSD17B10GAA
SCHEMBL12247185 0.63
SCHEMBL15764333 0.61 HSP90AA1 (0.36) HSP90AA1HSP90AB1PTK2S100A4NSD2
SCHEMBL13191926 0.60 LMNA (0.35) TDP1ALDH1A1HSD17B10GAAPKM
SCHEMBL9701136 0.60 HSP90AA1 (0.66) HSP90AA1HSP90AB1PTK2ALDH1A1S100A4
SCHEMBL3368053 0.60 PTGS1 (0.30)

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-20110230419-A1 IAP BINDING COMPOUNDS NUEVOLUTION A/S (DK) 2011-09-22 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-20110230419-A1 IAP BINDING COMPOUNDS BIRC5, BIRC7, BIRC3 HSP90AA1 2907/4885HSP90AB1 2093/4885TDP1 2083/4885

“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.