SCHEMBL3766356

SCHEMBL3766356

O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc[nH]n12

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 3/20 0.67
MAPT P10636 3/20 0.60
ALDH1A1 P00352 2/20 0.60
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
MCL1 Q07820 1/20 0.60
PSD A5PKW4 13/20 0.58
CCR6 P51684 1/20 0.52

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
SCHEMBL3751904 0.80 RAD51 (0.74) RAD51MAPTALDH1A1MCL1PSD
SCHEMBL11642434 0.80 RAD51 (0.73) RAD51MAPTALDH1A1MEN1KMT2A
SCHEMBL10832522 0.70 RAD51 (0.53) RAD51MAPTALDH1A1CRHBPCRHR2
SCHEMBL18439076 0.70 MAP2K1 (0.67) RAD51MAPTALDH1A1CRHBPCRHR2
SCHEMBL30452206 0.69 MCL1 (0.56) RAD51MAPTALDH1A1MEN1KMT2A
SCHEMBL13778057 0.68 PDE10A (0.49) RAD51MAPTALDH1A1CRHBPCRHR2
SCHEMBL7711852 0.66 RAD51 (0.62) RAD51MAPTALDH1A1MEN1KMT2A
SCHEMBL2406895 0.66 XDH (0.63) MAPTALDH1A1
SCHEMBL28489642 0.65 MEN1 (0.60) MAPTALDH1A1MEN1KMT2AMCL1
SCHEMBL6731942 0.65 MEN1 (0.60) MAPTALDH1A1MEN1KMT2AMCL1

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-8680270-B2 Metallo-oxidoreductase inhibitors using metal binding moieties in combination with targeting moieties VIAMET PHARMACEUTICALS, INC. (US) 2014-03-25 US disclosed
US-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES VIAMET PHARMACEUTICALS, INC. (US) 2010-12-02 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-20100305078-A1 METALLO-OXIDOREDUCTASE INHIBITORS USING METAL BINDING MOIETIES IN COMBINATION WITH TARGETING MOIETIES NQO1, SOD1, MDH2 RAD51 3582/4885MAPT 1702/4885ALDH1A1 406/4885

“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.