SCHEMBL6328287

SCHEMBL6328287

NC(=NO)c1csc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
MAPT P10636 8/20 0.42
PTPRC P08575 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PAX8 Q06710 1/20 0.35
GRM8 O00222 2/20 0.35
GRM4 Q14833 2/20 0.35
MAPK1 P28482 1/20 0.34
GRM6 O15303 1/20 0.34
MCHR1 Q99705 1/20 0.33
RECQL P46063 2/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL6467711 0.81 CYP3A4 (0.50) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL9005060 0.76 GAA (0.49) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL713292 0.76 GAA (0.49) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL28371251 0.75 GAA (0.43) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL3057004 0.74 GAA (0.48) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL18499649 0.74 MAPT (0.50) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL11727865 0.72 CYP3A4 (0.62) MAPTKMT2ACYP3A4SMN1; SMN2L3MBTL1
SCHEMBL6326303 0.70 GAA (0.45) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL3884152 0.70 MAPT (0.50) GAAMAPTPTPRCNPSR1KMT2A
SCHEMBL18430410 0.70 MAPT (0.50) GAAMAPTPTPRCNPSR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6924284-B2 PARP inhibitors ICOS CORPORATION (US) 2005-08-02 US disclosed
CN-1568187-A 2H-2,3-dinitrogen phenodiazine-1-ketone and using method thereof ICOS CORP (US) 2005-01-19 CN disclosed
US-20040087588-A1 Parp inhibitors ICOS CORPORATION 2004-05-06 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-20040087588-A1 Parp inhibitors PARP1, PARP2, PARP11 GAA 2424/4885MAPT 729/4885PTPRC 4223/4885

“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.