SCHEMBL9905104

SCHEMBL9905104

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C1CC2CCC1C2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.52
CRBN Q96SW2 1/20 0.52
ACHE P22303 5/20 0.48
ALOX5 P09917 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTPRC P08575 1/20 0.42
S100A4 P26447 1/20 0.42
CA12 O43570 3/20 0.42
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL2653644 0.78 ACHE (0.67) DDB1CRBNACHEALOX5CYP3A4
SCHEMBL6364719 0.77 KDM4E (0.51) DDB1CRBNTDP1PDE4APDE4B
SCHEMBL6364722 0.77 KDM4E (0.51) DDB1CRBNTDP1PDE4APDE4B
SCHEMBL1154388 0.77 KDM4E (0.51) DDB1CRBNTDP1PDE4APDE4B
SCHEMBL1154386 0.77 KDM4E (0.51) DDB1CRBNTDP1PDE4APDE4B
SCHEMBL10662869 0.74 ACHE (0.62) DDB1CRBNACHEALOX5PTPRC
SCHEMBL2490552 0.74 ALDH1A1 (0.39) ALDH1A1MAPT
SCHEMBL23312277 0.71 KDM4E (0.34)
SCHEMBL2658862 0.69 ACHE (0.70) DDB1CRBNACHEALOX5PTPRC
SCHEMBL1399131 0.68 CRBN (1.00) DDB1CRBNTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10098887-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2018-10-16 US disclosed
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TRANA DISCOVERY INC (US) 2016-05-12 US disclosed
US-9173886-B2 Antiviral compounds and methods of use thereof TRANA DISCOVERY, INC. (US) 2015-11-03 US disclosed
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TRANA DISCOVERY, INC (US) 2013-03-21 US disclosed
WO-2012079032-A2 COMPOSITIONS AND METHODS OF TREATING DRUG-RESISTANT RETROVIRAL INFECTIONS TRANA DISCOVERY, INC. (US) 2012-06-14 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 (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-10098887-B2 Antiviral compounds and methods of use thereof TYMP, MAVS, ZC3HAV1 DDB1 1024/4885CRBN 1052/4885ACHE 3103/4885
US-20160129006-A1 ANTIVIRAL COMPOUNDS AND METHODS OF USE THEREOF TYMP, MAVS, ZC3HAV1 DDB1 1024/4885CRBN 1052/4885ACHE 3103/4885
US-20130071353-A1 Antiviral Compounds and Methods of Use Thereof TYMP, MAVS, ZC3HAV1 DDB1 1024/4885CRBN 1052/4885ACHE 3103/4885

“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.