SCHEMBL6887487

SCHEMBL6887487

O=Cc1cc([N+](=O)[O-])no1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.38
MAPT P10636 4/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
PRKDC P78527 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
XBP1 P17861 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6889892 0.72 IDO1 (0.33) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL6887963 0.71
SCHEMBL6888757 0.67 NOTUM (0.41) ERN1MAPTKDM4EPOLB
SCHEMBL508581 0.65 NPC1 (0.34) MAPTCYP3A4NPC1RAB9A
SCHEMBL6883982 0.65 MAPK1 (0.36) ERN1MAPTALDH1A1MEN1KMT2A
SCHEMBL6888453 0.64 RAB9A (0.52) MAPTALDH1A1MEN1KMT2ANPC1
SCHEMBL6889201 0.62 LMNA (0.39) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL31633441 0.61
SCHEMBL9415815 0.61 MAPT (0.42) ERN1MAPTALDH1A1MEN1KMT2A
Ammonia Solution, Strong SCHEMBL27671164 0.61 KMT2A (0.63) MAPTALDH1A1KDM4EMEN1KMT2A

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 ERN1 2295/4885MAPT 4089/4885ALDH1A1 99/4885
US-20030207929-A1 3-nitroisoxazoles and their use in the protection of materials GPX1, NOX1, XDH ERN1 2295/4885MAPT 4089/4885ALDH1A1 99/4885

“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.