SCHEMBL4521634

SCHEMBL4521634

CCOc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 6/20 0.46
RECQL P46063 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL17046393 0.87 MAPT (0.49) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL5001817 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL21268339 0.83 NPC1 (0.50) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL317481 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL15666437 0.80 NPC1 (0.39) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL21268246 0.80 NPC1 (0.39) ALDH1A1LMNAMAPTRECQLMEN1
SCHEMBL15665568 0.80 RAB9A (0.39) ALDH1A1RECQLMEN1KMT2ARAB9A
SCHEMBL29130397 0.79 CA1 (0.50) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL6552466 0.78 POLB (0.48) ALDH1A1MAPTRECQLMEN1KMT2A
SCHEMBL3580690 0.77 PDK1 (0.47) ALDH1A1LMNAMAPTRECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-10-15 US claimed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP claimed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
EP-1933834-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2008-06-25 EP disclosed
WO-2007042816-A1 BENZOXAZOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2007-04-19 WO disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed
EP-0153599-B1 TRIPHENEDIOXAZINE VINYLSULFONYL DYESTUFFS BAYER AG (DE) 1988-03-02 EP disclosed
US-4289526-A FUNGICIDES, HERBICIDES, BACTERICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-09-15 US disclosed
US-4277469-A FUNGICIDES, PLANT GROWTH REGULATORS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-07-07 US disclosed
EP-0023756-A2 Triazol and imidazol derivatives; processes for their preparation, pesticidal compositions containing them and their use; preparation of intermediates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-02-11 EP disclosed
US-4217129-A Fungicidal and herbicidal triazole ketones IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-08-12 US disclosed
EP-0009298-A1 Heterocyclic compounds, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-04-02 EP disclosed
EP-0007707-A1 1,3-Diazol- and 1,2,4-triazol-derivatives, processes for their preparation, pesticidal compositions containing them and methods of combating pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-02-06 EP 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-20090258917-A1 Benzoxazoles Useful in the Treatment of Inflammation IL4I1, EPX, IL4 ALDH1A1 1647/4885LMNA 1694/4885MAPT 270/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALDH1A1 1019/4885LMNA 2676/4885MAPT 4724/4885

“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.