SCHEMBL20435499

SCHEMBL20435499

Cc1ccc(-n2cc(-c3cc4ccccc4oc3=O)nn2)c([N+](=O)[O-])c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ MAPT P10636 5/20 0.51
▸ NPC1 O15118 4/20 0.51
▸ RAB9A P51151 4/20 0.51
▸ POLB P06746 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ CA9 Q16790 2/20 0.49
▸ CA12 O43570 1/20 0.49
▸ APP P05067 2/20 0.46
▸ LMNA P02545 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ MAOA P21397 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41

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
SCHEMBL11499674 0.75 ALDH1A1 (0.57) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL13315784 0.73 KDM4E (0.47) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL25319466 0.71 TSHR (0.45) ALDH1A1MAPTRAB9APOLBCA9
SCHEMBL25319835 0.70 TSHR (0.46) ALDH1A1MAPTNPC1POLBLMNA
SCHEMBL11711313 0.70 RAB9A (0.55) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL11499105 0.70 ALDH1A1 (0.47) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL13315785 0.69 RAB9A (0.44) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL18153333 0.68 MAOB (0.73) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL3550958 0.68 SRC (0.52) MAOBALDH1A1MAPTNPC1RAB9A
SCHEMBL11712359 0.67 RAB9A (0.52) MAOBALDH1A1MAPTNPC1RAB9A

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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 — — US disclosed
US-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection UCL BUSINESS PLC (GB) 2018-08-02 — — 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-20180214430-A1 Selective Inhibitors Of i-NOS For Use Against Viral Infection NOS2, NOS1, NOS3 MAOB 204/4885ALDH1A1 1701/4885MAPT 3876/4885

“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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