SCHEMBL1193558

SCHEMBL1193558

O=[N+]([O-])c1ncnc([N+](=O)[O-])n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.33
HTT P42858 3/20 0.33
MITF O75030 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 2/20 0.33
PDE10A Q9Y233 1/20 0.33
ALPL P05186 1/20 0.33
APEX1 P27695 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 5/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 5/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP19A1 P11511 1/20 0.31
GALR2 O43603 1/20 0.30

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
SCHEMBL8101643 0.84 MAPT (0.38) MAPTHTTMITFSMN1; SMN2ALDH1A1
SCHEMBL1425910 0.84 PIN1 (0.36) MAPTHTTMITFSMN1; SMN2POLB
SCHEMBL27452342 0.82 POLB (0.38) MAPTHTTMITFSMN1; SMN2POLB
SCHEMBL8110679 0.79 TDP1 (0.36) SMN1; SMN2POLB
SCHEMBL2042482 0.78 POLB (0.39) MAPTHTTMITFSMN1; SMN2POLB
SCHEMBL3293002 0.69 PDE10A (0.36) MAPTHTTMITFSMN1; SMN2POLB
SCHEMBL57064 0.69
SCHEMBL8665016 0.67 MAPT (0.39) MAPTHTTSMN1; SMN2POLBPDE10A
SCHEMBL31694393 0.67 PDE10A (0.39) MAPTSMN1; SMN2POLBPDE10AAPEX1
SCHEMBL9197442 0.67 ALDH1A1 (0.38) MAPTPOLBALDH1A1HPGDALOX15

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7887845-B2 Particle of a solid dispersion composed of a water soluble polymer and etravirine or salt thereof; etravirine FDA Orange book listed patent JANSSEN PHARMACEUTICA NV (BE) 2011-02-15 US disclosed
US-20100172970-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2010-07-08 US disclosed
US-20070196478-A1 ANTIVIRAL COMPOSITIONS VERRECK GEERT 2007-08-23 US disclosed
US-20060127487-A1 Antiviral compositions VERRECK GEERT 2006-06-15 US disclosed
EP-1225874-B1 ANTIVIRAL SOLID DISPERSIONS JANSSEN PHARMACEUTICA NV (BE) 2006-02-01 EP disclosed
CN-1234347-C Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2006-01-04 CN disclosed
CN-1376057-A Anti-virus composition JANSSEN PHARMACEUTICA NV (BE) 2002-10-23 CN disclosed
EP-1225874-A1 ANTIVIRAL COMPOSITIONS Janssen Pharmaceutica N.V. (BE) 2002-07-31 EP disclosed
WO-2001022938-A1 ANTIVIRAL COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 2001-04-05 WO disclosed
US-3755322-A DIAMINO-S-TRIAZINES CIBA GEIGY CORP 1973-08-28 US 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 (3 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-20070196478-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 MAPT 879/4885HTT 1238/4885MITF 2438/4885
US-20100172970-A1 ANTIVIRAL COMPOSITIONS EIF2AK2, ZC3HAV1, RPL35 MAPT 879/4885HTT 1238/4885MITF 2438/4885
US-20060127487-A1 Antiviral compositions EIF2AK2, ZC3HAV1, RPL35 MAPT 879/4885HTT 1238/4885MITF 2438/4885

“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.