SCHEMBL18366033

SCHEMBL18366033

Cn1ncc([N+](=O)[O-])c1I

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ PKM P14618 3/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL8385965 0.78 MEN1 (0.44) POLBMEN1KMT2ATDP1GAA
SCHEMBL6970538 0.78 MEN1 (0.49) POLBMEN1KMT2AGAAPKM
SCHEMBL28969335 0.78 MEN1 (0.46) POLBMEN1KMT2ATDP1GAA
SCHEMBL23066567 0.76 PKM (0.43) POLBMEN1KMT2ATDP1GAA
SCHEMBL14800866 0.76 MEN1 (0.43) POLBMEN1KMT2ATDP1GAA
SCHEMBL2521727 0.76 MEN1 (0.48) POLBMEN1KMT2AGAAPKM
SCHEMBL28434366 0.74 MEN1 (0.40) POLBMEN1KMT2ATDP1GAA
SCHEMBL5106132 0.73 KDM4E (0.43) POLBMEN1KMT2ATDP1GAA
SCHEMBL13764829 0.73 KDM4E (0.45) POLBMEN1KMT2ATDP1GAA
SCHEMBL2517806 0.73 GAA (0.46) POLBMEN1KMT2ATDP1GAA

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
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
US-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-12 — — US disclosed
WO-2017004500-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-01-05 — — 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-20170008877-A1 BICYCLIC LACTAMS AND METHODS OF USE THEREOF LSS, LPXN, CYP1B1 POLB 1182/4885MEN1 128/4885KMT2A 3390/4885

“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.

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