SCHEMBL141600

SCHEMBL141600

Cc1cccc(C2=NOCCN2)c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ TSHR P16473 4/20 0.42
▸ PKM P14618 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 3/20 0.38
▸ NISCH Q9Y2I1 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33

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
SCHEMBL4386672 0.80 NISCH (0.60) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL4395974 0.76 ALDH1A1 (0.46) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL143761 0.76 NISCH (0.41) NISCHPOLBPARP1PARP10PARP11
SCHEMBL11847292 0.73 ALDH1A1 (0.78) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL3535923 0.68 ALDH1A1 (0.58) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL635089 0.67 ALDH1A1 (1.00) ALDH1A1TDP1TSHRLMNAHPGD
SCHEMBL31546538 0.67 ALDH1A1 (0.51) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL4389459 0.67 ALDH1A1 (0.51) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL7814268 0.66 ALDH1A1 (0.64) ALDH1A1TDP1TSHRPKMLMNA
SCHEMBL28521563 0.65 ALDH1A1 (0.95) ALDH1A1TDP1TSHRPKMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926728-B1 OXADIAZINE-SUBSTITUTED ARYLAMIDES BAYER IP GMBH (DE) 2017-04-05 — — EP disclosed
US-8486934-B2 Oxadiazine-substituted arylamides BAYER CROPSCIENCE AG (DE) 2013-07-16 — — US disclosed
US-20120058891-A1 Oxadizine-Substituted Arylamides BAYER CROPSCIENCE AG (DE) 2012-03-08 — — US disclosed
CN-101287731-B Dioxazine-substituted arylamides and oxdiazine-substituted arylamides BAYER CROPSCIENCE AG (DE) 2012-02-08 — — CN disclosed
US-8062995-B2 Dioxazine-substituted arylamides BAYER CROPSCIENCE AG (DE) 2011-11-22 — — US disclosed
US-20090143228-A1 Dioxazine-and Oxadiazine-Substitude Arylamide BAYER CROPSCIENCE AG (DE) 2009-06-04 — — US disclosed
CN-101287731-A Dioxazine- and oxdiazine-substituted arylamides BAYER CROPSCIENCE AG (DE) 2008-10-15 — — CN disclosed
EP-1926728-A1 DIOXAZINE- AND OXADIAZINE-SUBSTITUTED ARYLAMIDES Bayer CropScience Aktiengesellschaft (DE) 2008-06-04 — — EP disclosed
WO-2007031213-A1 DIOXAZINE- AND OXADIAZINE-SUBSTITUTED ARYLAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2007-03-22 — — 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 (2 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-20090143228-A1 Dioxazine-and Oxadiazine-Substitude Arylamide PRXL2A, AOX1, DDT ALDH1A1 105/4885TDP1 2298/4885TSHR 299/4885
US-20120058891-A1 Oxadizine-Substituted Arylamides DDT, OXER1, PRXL2A ALDH1A1 119/4885TDP1 2356/4885TSHR 356/4885

“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.

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