SCHEMBL6072565

SCHEMBL6072565

COC(=O)C(C)(C)c1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PLCG1 P19174 1/20 0.44
POLB P06746 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 4/20 0.42
KMT2A Q03164 2/20 0.42
KAT2B Q92831 1/20 0.41
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
MERTK Q12866 1/20 0.37

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
SCHEMBL3592382 0.81 TDP1 (0.63) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL8119880 0.80 VCAM1 (0.58) VCAM1TDP1MAPTKMT2AKAT2B
SCHEMBL6887172 0.80 NPSR1 (0.50) VCAM1NPSR1POLBTDP1RAB9A
SCHEMBL1970679 0.80 NPSR1 (0.50) NPSR1POLBTDP1MAPTGAA
SCHEMBL30484019 0.80 NPSR1 (0.50) VCAM1NPSR1POLBTDP1RAB9A
SCHEMBL30408370 0.79 VCAM1 (0.45) VCAM1NPSR1POLBTDP1MAPT
SCHEMBL6882245 0.78 NPSR1 (0.49) NPSR1POLBTDP1MAPTKMT2A
SCHEMBL25176277 0.78 PLCG1 (0.48) PLCG1KMT2AMEN1
SCHEMBL11216637 0.77 PLCG1 (0.50) PLCG1
SCHEMBL4009144 0.76 NPSR1 (0.77) NPSR1PLCG1POLBTDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
US-20040146941-A1 Chemical encoding technology for combinatorial synthesis MASSACHUSETTS, UNIVERSITY OF 2004-07-29 US disclosed
WO-2004041752-A2 CHEMICAL ENCODING TECHNOLOGY FOR COMBINATORIAL SYNTHESIS UNIVERSITY OF MASSACHUSETTS (US) 2004-05-21 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 (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-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A VCAM1 2220/4885NPSR1 2205/4885PLCG1 1719/4885

“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.