SCHEMBL1579995

SCHEMBL1579995

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](NCc2ccccc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 3/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 2/20 0.42
HSD11B1 P28845 1/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
BACE1 P56817 2/20 0.41
MAPK1 P28482 1/20 0.41
DRD4 P21917 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1579996 1.00 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTLMNA
Hydrochloric Acid SCHEMBL2217650 0.99 ALDH1A1 (0.45) ALDH1A1MAPTHPGDHTTLMNA
Hydrochloric Acid SCHEMBL2217645 0.99 ALDH1A1 (0.45) ALDH1A1MAPTHPGDHTTLMNA
SCHEMBL2218481 0.85 BCHE (0.57) ALDH1A1HTTLMNARAB9ANPC1
SCHEMBL2218474 0.85 BCHE (0.57) ALDH1A1HTTLMNARAB9ANPC1
SCHEMBL1582323 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTLMNA
SCHEMBL1582322 0.81 ALDH1A1 (0.46) ALDH1A1MAPTHPGDHTTLMNA
SCHEMBL2214364 0.80 BCHE (0.45) ALDH1A1MAPTHTTRAB9ANPC1
SCHEMBL2214357 0.80 BCHE (0.45) ALDH1A1MAPTHTTRAB9ANPC1
SCHEMBL2217675 0.79 MGLL (0.48) ALDH1A1HTTLMNARAB9AHSD11B1

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 12 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
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
EP-2310388-A2 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS Institut Pasteur Korea (KR) 2011-04-20 EP disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 WO 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 3932/4885MAPT 2660/4885HPGD 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.