SCHEMBL2293598

SCHEMBL2293598

O=C1CC(Nc2c([N+](=O)[O-])cnc3c2ccn3S(=O)(=O)c2ccccc2)CCN1Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.40
HTR6 P50406 6/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 2/20 0.36
PKM P14618 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
RAB9A P51151 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
POLB P06746 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2282617 0.88 MAPK1 (0.54) MAPK1HTR6KMT2AMEN1MAPT
SCHEMBL2293047 0.88 MAPK1 (0.37) MAPK1HTR6KMT2AMEN1MAPT
SCHEMBL2278657 0.88 MAPK1 (0.48) MAPK1HTR6KMT2AMEN1MAPT
SCHEMBL2278662 0.88 MAPK1 (0.48) MAPK1HTR6KMT2AMEN1MAPT
SCHEMBL2283775 0.87 HTR6 (0.40) HTR6MMP1MMP2MMP3MMP7
SCHEMBL2272155 0.86 KDM4E (0.39) HTR6MMP1MMP2MMP3MMP7
SCHEMBL2270617 0.86 JAK2 (0.44) MAPK1HTR6KMT2AMEN1POLB
SCHEMBL2270606 0.86 JAK2 (0.44) MAPK1HTR6KMT2AMEN1POLB
SCHEMBL2271805 0.84 JAK2 (0.47) MAPK1KMT2AMEN1
SCHEMBL29428781 0.83 HTR6 (0.44) MAPK1HTR6KMT2AMAPTPKM

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-8461328-B2 Tricyclic heterocyclic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2013-06-11 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 MAPK1 2009/4885HTR6 3644/4885KMT2A 1997/4885

“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.