SCHEMBL6078733

SCHEMBL6078733

CCOC(C(=O)NCc1ccc(C#N)cc1[N+](=O)[O-])N1Cc2c(C)cccc2C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 6/20 0.33
CD274 Q9NZQ7 6/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPT P10636 2/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SDCBP O00560 1/20 0.31
SDC2 P34741 1/20 0.31
VHL P40337 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
SCHEMBL6078742 1.00 PDCD1 (0.33) PDCD1CD274KMT2AMEN1NPC1
SCHEMBL6078343 0.88 SDCBP (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6078352 0.88 SDCBP (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6078094 0.87 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6078103 0.87 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6077622 0.83 F10 (0.35) PDCD1CD274GABRA1GABRG2GABRB3
SCHEMBL6030782 0.83 F10 (0.35) PDCD1CD274GABRA1GABRG2GABRB3
SCHEMBL6078161 0.81 SLC1A2 (0.35) PDCD1CD274SMN1; SMN2TDP1SDCBP
SCHEMBL6078168 0.81 SLC1A2 (0.35) PDCD1CD274SMN1; SMN2TDP1SDCBP
SCHEMBL6029874 0.79 TNF (0.36) PDCD1CD274KMT2AMEN1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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 (1 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 PDCD1 4465/4885CD274 3548/4885KMT2A 2080/4885

“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.