SCHEMBL20968229

SCHEMBL20968229

CC(=O)c1cccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ TP53 P04637 3/20 0.55
▸ NPC1 O15118 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ PPARD Q03181 3/20 0.52
▸ PPARA Q07869 3/20 0.52
▸ MCHR1 Q99705 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ RAF1 P04049 1/20 0.47
▸ ACACB O00763 5/20 0.47
▸ S1PR1 P21453 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL20968238 0.85 NPC1 (0.45) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL20968168 0.84 S1PR1 (0.54) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL20968167 0.84 MAOA (0.47) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL20968217 0.83 NPC1 (0.49) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL3057263 0.82 NR1H4 (0.61) RAB9ATP53NPC1SMN1; SMN2PPARD
SCHEMBL10970400 0.82 MEN1 (0.59) RAB9AMEN1KMT2AMAPTMAOA
SCHEMBL5836424 0.80 NR1H4 (0.66) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL16769349 0.79 NPC1 (0.68) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL20968228 0.79 RAB9A (0.68) RAB9ALMNATP53NPC1SMN1; SMN2
SCHEMBL12947694 0.77 RAB9A (0.67) RAB9ALMNATP53NPC1SMN1; SMN2

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 RAB9A 3729/4885LMNA 1699/4885TP53 4798/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA RAB9A 3729/4885LMNA 1699/4885TP53 4798/4885

“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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