SCHEMBL5405731

SCHEMBL5405731

O=C(O)Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.65
LMNA P02545 2/20 0.57
ALDH1A1 P00352 1/20 0.46
PKM P14618 2/20 0.46
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
SOS1 Q07889 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
OPRK1 P41145 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37

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
SCHEMBL3835022 0.82 MITF (0.52) MITFLMNAALDH1A1PKMKMT2A
SCHEMBL6666633 0.78 MITF (0.51) MITFLMNAALDH1A1PKMKMT2A
SCHEMBL3303223 0.78 MITF (0.55) MITFLMNAALDH1A1PKMKMT2A
SCHEMBL3914305 0.75 LMNA (0.62) MITFLMNAKMT2ATHRBCYP2C19
SCHEMBL1382980 0.74 LMNA (1.00) MITFLMNAALDH1A1KMT2AGAA
SCHEMBL9410189 0.73 MITF (0.44) MITFLMNAALDH1A1PKMKMT2A
SCHEMBL8027600 0.72 MITF (0.56) MITFLMNAALDH1A1PKMKMT2A
SCHEMBL2760499 0.71 TAAR1 (0.61) LMNAALDH1A1PKMKMT2AGAA
SCHEMBL1383517 0.70 LMNA (0.80) MITFLMNAALDH1A1KMT2AGAA
SCHEMBL4058834 0.70 ALDH1A1 (0.62) MITFALDH1A1PKMKMT2ASOS1

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
US-20070179297-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2007-08-02 US disclosed
US-7238811-B2 Chemical compounds ASTRAZENECA AB (SE) 2007-07-03 US disclosed
US-7179922-B2 4-Phenyloxypiperidionopiperidine compounds as antiinflammatory agents; autoimmune diseases; rheumatic diseases; cardiovascular disorders ASTRAZENECA AB (SE) 2007-02-20 US disclosed
US-20050171092-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2005-08-04 US disclosed
EP-1274701-B1 [1,4']-BIPIPERIDINE COMPOUNDS ASTRAZENECA AB (SE) 2005-06-29 EP disclosed
US-6903115-B2 Bipiperidine compounds ASTRAZENECA AB (SE) 2005-06-07 US disclosed
EP-1493743-A1 Substituted bipiperidine intermediates and derivatives thereof AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040014783-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-22 US disclosed
US-20040006080-A1 Chemical compounds ASTRAZENECA AB, A SWEDEN CORPORATION 2004-01-08 US disclosed
US-6525070-B2 For therapy of chemokine (such as CCR3) or H1 mediated disease state ASTRAZENECA AB (SE) 2003-02-25 US disclosed
EP-1274701-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2003-01-15 EP disclosed
US-20020077337-A1 Chemical compounds ASTRAZENECA AB (SE) 2002-06-20 US disclosed
WO-2001077101-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2001-10-18 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 (5 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-20020077337-A1 Chemical compounds CCR3, CCR1, CCR4 MITF 1776/4885LMNA 4160/4885ALDH1A1 376/4885
US-20050171092-A1 Chemical compounds CCR3, CCR1, CCR4 MITF 1427/4885LMNA 3860/4885ALDH1A1 428/4885
US-20040006080-A1 Chemical compounds CCR3, CCR1, CCR4 MITF 1776/4885LMNA 4160/4885ALDH1A1 376/4885
US-20040014783-A1 Chemical compounds CCR3, CCR1, CCR4 MITF 1776/4885LMNA 4160/4885ALDH1A1 376/4885
US-20070179297-A1 Chemical compounds CCR3, CCR1, CCR4 MITF 1427/4885LMNA 3860/4885ALDH1A1 428/4885

“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.