SCHEMBL2217629

SCHEMBL2217629

COc1ccc(O[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALOX5 P09917 1/20 0.48
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 1/20 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
SCHEMBL2219414 1.00 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1ALOX5
SCHEMBL2217633 1.00 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1ALOX5
SCHEMBL1578414 0.93 L3MBTL1 (0.54) ALDH1A1NPC1RAB9AL3MBTL1ALOX5
SCHEMBL2220789 0.90 RXFP1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2220795 0.90 RXFP1 (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2216345 0.90 HTT (0.52) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL2220385 0.90 HTT (0.52) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL1578281 0.90 HTT (0.52) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL1581412 0.90 ALDH1A1 (0.57) ALDH1A1POLBGAALMNASMN1; SMN2
SCHEMBL1581413 0.90 ALDH1A1 (0.57) ALDH1A1POLBGAALMNASMN1; SMN2

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
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
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 3932/4885NPC1 402/4885RAB9A 1091/4885

“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.