SCHEMBL1578022

SCHEMBL1578022

O=C(NCCOCc1ccc(OC(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
TRPV1 Q8NER1 4/20 0.47
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.43
CASP3 P42574 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
EPHX2 P34913 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
HTR2C P28335 1/20 0.42
ALOX5 P09917 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
Dinitrophenylene SCHEMBL27813198 0.89 RAB9A (0.52) MAPTLMNAMEN1KMT2AHTT
SCHEMBL1578397 0.87 MAPT (0.69) MAPTGAALMNAMEN1KMT2A
SCHEMBL1578835 0.86 MEN1 (0.64) MAPTGAALMNAMEN1KMT2A
SCHEMBL1578827 0.85 SMN1; SMN2 (0.56) MAPTGAALMNAMEN1KMT2A
SCHEMBL2219207 0.84 GAA (0.57) MAPTGAALMNAMEN1KMT2A
SCHEMBL27182274 0.84 MAPT (0.65) MAPTGAALMNAMEN1KMT2A
SCHEMBL1578808 0.83 MAPT (0.57) MAPTGAALMNAMEN1KMT2A
SCHEMBL2216223 0.83 MEN1 (0.54) MAPTGAALMNAMEN1KMT2A
SCHEMBL2216336 0.83 LMNA (0.66) MAPTGAALMNAMEN1KMT2A
SCHEMBL27182269 0.82 MAPT (0.59) MAPTGAALMNAMEN1KMT2A

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 13 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
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN 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 MAPT 2660/4885GAA 949/4885LMNA 4132/4885

“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.