SCHEMBL2220385

SCHEMBL2220385

COC(=O)c1ccc(O[C@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 6/20 0.47
NPC1 O15118 2/20 0.47
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 2/20 0.42

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
SCHEMBL1578281 1.00 HTT (0.52) HTTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2216345 1.00 HTT (0.52) HTTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL1578583 0.94 HTT (0.56) HTTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL2219414 0.90 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL2217633 0.90 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL2217629 0.90 ALDH1A1 (0.49) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL2219137 0.88 SRD5A1 (0.47) HTTKMT2AMEN1LMNAPOLB
SCHEMBL2219131 0.88 SRD5A1 (0.47) HTTKMT2AMEN1LMNAPOLB
SCHEMBL15693736 0.87 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1LMNAMAPT
SCHEMBL13539591 0.87 ALDH1A1 (0.47) KMT2ASMN1; SMN2MEN1LMNAMAPT

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
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP 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
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 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
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 HTT 3860/4885KMT2A 4781/4885SMN1; SMN2 4839/4885

“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.