SCHEMBL20968167

SCHEMBL20968167

Oc1ccc(-c2nc(-c3ccc(Oc4cccc(I)c4)cc3)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ NR1H4 Q96RI1 4/20 0.46
▸ S1PR1 P21453 3/20 0.46
▸ NPC1 O15118 7/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ TP53 P04637 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PKM P14618 1/20 0.44

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
SCHEMBL20968216 0.87 PPARD (0.49) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL20968217 0.86 NPC1 (0.49) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL3057263 0.85 NR1H4 (0.61) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL20968168 0.85 S1PR1 (0.54) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL20968229 0.84 RAB9A (0.55) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL5836424 0.83 NR1H4 (0.66) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL20968238 0.82 NPC1 (0.45) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL20968212 0.80 NR1H4 (0.59) MAOAMAOBNR1H4S1PR1NPC1
SCHEMBL32665126 0.79 LTA4H (0.59) SMN1; SMN2GAAMAPTMEN1ALDH1A1
SCHEMBL20968228 0.79 RAB9A (0.68) NR1H4S1PR1NPC1SMN1; SMN2RAB9A

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-10662164-B2 Non-beta lactam antibiotics UNIVERSITY OF NOTRE DAME DU LAC (US) 2020-05-26 — — US disclosed
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC 2019-05-02 — — 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 (2 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-10662164-B2 Non-beta lactam antibiotics OXA1L, O60361, CUTA MAOA 1607/4885MAOB 899/4885NR1H4 2358/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA MAOA 1607/4885MAOB 899/4885NR1H4 2358/4885

“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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