SCHEMBL2082948

SCHEMBL2082948

C=CC(N)C1CCN(c2ccc3cc(C(=O)O)c(=O)[nH]c3c2)C1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 3/20 0.38
SLC16A3 O15427 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MGLL Q99685 1/20 0.34
NEK1 Q96PY6 1/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
NOTUM Q6P988 1/20 0.32
NR1H2 P55055 1/20 0.32
IP6K1 Q92551 1/20 0.32
KCNH2 Q12809 2/20 0.32

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
SCHEMBL2082281 0.88 SMYD3 (0.43) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL7174701 0.83 SMYD3 (0.40) SMYD3POLBPDGFRBFGFR1KDR
SCHEMBL6621623 0.82 SMYD3 (0.42) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL2082255 0.79 TOP1 (0.47) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL2082993 0.78 KDM4E (0.37) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL9288768 0.77 SLC16A3 (0.41) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL29980141 0.75 SLC16A3 (0.48) SLC16A3KDM4EALDH1A1POLBGAA
SCHEMBL9735507 0.75 IP6K1 (0.51) SLC16A3KDM4EALDH1A1POLBGAA
SCHEMBL13581828 0.75 SMYD3 (0.34) SMYD3SLC16A3KDM4EALDH1A1POLB
SCHEMBL3628697 0.75 PIM2 (0.36) POLBMGLLNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 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 (2 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L SMYD3 4806/4885SLC16A3 1580/4885KDM4E 2484/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL SMYD3 4763/4885SLC16A3 2043/4885KDM4E 2618/4885

“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.