SCHEMBL6889892

SCHEMBL6889892

O=[N+]([O-])c1cc([N+](=O)[O-])on1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.32
▸ CYP19A1 P11511 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ PAX8 Q06710 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ MAPT P10636 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ LMNA P02545 3/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ XBP1 P17861 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ TXNRD1 Q16881 1/20 0.31
▸ TXNRD3 Q86VQ6 1/20 0.31
▸ TXNRD2 Q9NNW7 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL6887963 0.76 — —
SCHEMBL6887487 0.72 ERN1 (0.38) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6888757 0.71 NOTUM (0.41) MAPTKDM4E
SCHEMBL508581 0.70 NPC1 (0.34) IDO1NPC1MAPTRAB9AAHR
SCHEMBL6883982 0.70 MAPK1 (0.36) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6888453 0.69 RAB9A (0.52) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6890028 0.66 PPARA (0.41) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL6889201 0.66 LMNA (0.39) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL7698043 0.62 ALDH1A1 (0.41) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL3466683 0.60 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6835842-B2 Microbiocides; bactericides BAYER AKTIENGESELLSCHAFT (DE) 2004-12-28 — — US claimed
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials LANXESS DEUTSCHLAND GMBH (DE) 2003-11-06 — — US claimed
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2003-09-04 — — US claimed
EP-1335909-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS Bayer Aktiengesellschaft (DE) 2003-08-20 — — EP claimed
WO-2002034731-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 — — WO claimed
US-6835842-B2 Microbiocides; bactericides BAYER AKTIENGESELLSCHAFT (DE) 2004-12-28 — — US disclosed
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials LANXESS DEUTSCHLAND GMBH (DE) 2003-11-06 — — US disclosed
US-6638958-B2 3-nitroisoxazoles and their use in the protection of materials BAYER AKTIENGESELLSCHAFT (DE) 2003-10-28 — — US disclosed
US-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS LANXESS DEUTSCHLAND GMBH (DE) 2003-09-04 — — US disclosed
EP-1335909-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS Bayer Aktiengesellschaft (DE) 2003-08-20 — — EP disclosed
WO-2002034731-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 2002-05-02 — — 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-20030166698-A1 3-NITROISOXAZOLES AND THEIR USE IN THE PROTECTION OF MATERIALS GPX1, NOX1, XDH IDO1 395/4885GPR35 4234/4885CYP19A1 427/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH IDO1 395/4885GPR35 4234/4885CYP19A1 427/4885

“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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