SCHEMBL20968258

SCHEMBL20968258

COc1ccc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.66
NPC1 O15118 8/20 0.66
MAPT P10636 8/20 0.66
KDM4E B2RXH2 7/20 0.64
HSD17B10 Q99714 7/20 0.64
RAB9A P51151 6/20 0.64
ALDH1A1 P00352 5/20 0.64
TSHR P16473 4/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HTT P42858 1/20 0.60
PPARG P37231 1/20 0.58
NCOA2 Q15596 1/20 0.58
NCOA1 Q15788 1/20 0.58
NCOA3 Q9Y6Q9 1/20 0.58
LMNA P02545 1/20 0.57
TP53 P04637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NFKB1 P19838 1/20 0.56

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
SCHEMBL20968177 0.86 NPSR1 (0.71) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL3061832 0.85 RAB9A (0.68) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL1660913 0.85 SMN1; SMN2 (0.82) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL20968219 0.84 MAPT (0.57) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL13417339 0.81 NPC1 (0.77) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL3057492 0.81 RAB9A (0.74) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL19766694 0.80 NPC1 (1.00) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL16769350 0.80 NPC1 (0.68) SMN1; SMN2NPC1MAPTRAB9AALDH1A1
SCHEMBL20968187 0.79 MAPT (0.48) SMN1; SMN2NPC1MAPTKDM4EHSD17B10
SCHEMBL20968191 0.78 NR1H4 (0.59) SMN1; SMN2NPC1MAPTHSD17B10RAB9A

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 SMN1; SMN2 3703/4885NPC1 2521/4885MAPT 4082/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA SMN1; SMN2 3703/4885NPC1 2521/4885MAPT 4082/4885

“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.