SCHEMBL2219892

SCHEMBL2219892

O=C(NCCOc1ccc(F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.74
LMNA P02545 3/20 0.74
GAA P10253 3/20 0.74
MEN1 O00255 6/20 0.73
KMT2A Q03164 6/20 0.73
HTT P42858 3/20 0.73
L3MBTL1 Q9Y468 2/20 0.66
NPSR1 Q6W5P4 1/20 0.58
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 6/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.48
ALOX5 P09917 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL27182315 0.96 MAPT (0.69) MAPTLMNAGAAMEN1KMT2A
SCHEMBL27182342 0.92 MAPT (0.63) MAPTLMNAGAAMEN1KMT2A
SCHEMBL2219069 0.89 LMNA (0.76) MAPTLMNAGAAMEN1KMT2A
SCHEMBL12442514 0.88 LMNA (0.74) MAPTLMNAGAAMEN1KMT2A
SCHEMBL2217132 0.88 MAPT (0.74) MAPTLMNAGAAMEN1KMT2A
SCHEMBL15693741 0.88 KMT2A (0.77) MAPTLMNAGAAMEN1KMT2A
SCHEMBL2215772 0.88 KMT2A (0.80) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1578589 0.87 KMT2A (0.95) MAPTLMNAGAAMEN1KMT2A
SCHEMBL1578397 0.87 MAPT (0.69) MAPTLMNAGAAMEN1KMT2A
Hydrochloric Acid SCHEMBL1578037 0.86 MAPT (0.72) MAPTLMNAGAAMEN1KMT2A

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
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
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 CN 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
CN-102105470-A Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2011-06-22 CN 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 2660/4885LMNA 4132/4885GAA 949/4885

“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.