SCHEMBL2217669

SCHEMBL2217669

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](NCc2cccc(Cl)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ BCHE P06276 2/20 0.48
▸ ACHE P22303 2/20 0.48
▸ BACE1 P56817 2/20 0.48
▸ FNTA P49354 1/20 0.47
▸ FNTB P49356 1/20 0.47
▸ PGGT1B P53609 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TEAD1 P28347 2/20 0.45
▸ CARM1 Q86X55 1/20 0.44
▸ PRMT6 Q96LA8 1/20 0.44
▸ DRD4 P21917 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALOX5 P09917 1/20 0.43
▸ TMEM97 Q5BJF2 1/20 0.43

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
SCHEMBL2217675 1.00 MGLL (0.48) MGLLSMN1; SMN2MEN1KMT2ABCHE
SCHEMBL2218481 0.89 BCHE (0.57) SMN1; SMN2KMT2ABCHEACHEBACE1
SCHEMBL2218474 0.89 BCHE (0.57) SMN1; SMN2KMT2ABCHEACHEBACE1
SCHEMBL2216396 0.86 TEAD1 (0.64) MEN1KMT2ABCHEACHEBACE1
SCHEMBL2216389 0.86 TEAD1 (0.64) MEN1KMT2ABCHEACHEBACE1
SCHEMBL2214357 0.83 BCHE (0.45) SMN1; SMN2MEN1KMT2ABCHEACHE
SCHEMBL2214364 0.83 BCHE (0.45) SMN1; SMN2MEN1KMT2ABCHEACHE
SCHEMBL13539387 0.82 BCHE (0.53) SMN1; SMN2KMT2ABCHEACHEBACE1
SCHEMBL13539593 0.82 BCHE (0.46) SMN1; SMN2KMT2ABCHEACHEBACE1
SCHEMBL2218390 0.82 KDM5A (0.56) MGLLSMN1; SMN2MEN1KMT2ALMNA

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 8 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
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 MGLL 692/4885SMN1; SMN2 4839/4885MEN1 3685/4885

“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.

Send feedback