SCHEMBL2220004

SCHEMBL2220004

COc1ccc(O[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
HIF1A Q16665 1/20 0.60
ACHE P22303 1/20 0.58
BACE1 P56817 1/20 0.58
GAA P10253 1/20 0.58
SLC18A3 Q16572 2/20 0.56
HSD11B1 P28845 1/20 0.56
NAMPT P43490 1/20 0.55
EPHX2 P34913 1/20 0.55
POLB P06746 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
RECQL P46063 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDE4B Q07343 1/20 0.52

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
SCHEMBL2220012 1.00 ALDH1A1 (0.60) ALDH1A1LMNAHPGDHIF1AACHE
SCHEMBL12516082 0.93 POLB (0.62) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL1580337 0.91 GAA (0.60) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL12442639 0.90 NAMPT (0.57) ALDH1A1LMNAACHENAMPTEPHX2
SCHEMBL1580394 0.89 HRH1 (0.56) ALDH1A1LMNAHPGDHIF1AACHE
SCHEMBL2219230 0.89 MGLL (0.57) ALDH1A1HPGDHSD11B1POLBKDM4E
SCHEMBL2219227 0.89 MGLL (0.57) ALDH1A1HPGDHSD11B1POLBKDM4E
SCHEMBL2218559 0.88 POLB (0.56) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL2217698 0.88 ALDH1A1 (0.57) ALDH1A1LMNAHPGDHIF1AGAA
SCHEMBL2217701 0.88 ALDH1A1 (0.57) ALDH1A1LMNAHPGDHIF1AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 ALDH1A1 3932/4885LMNA 4132/4885HPGD 1413/4885

“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.