SCHEMBL20968280

SCHEMBL20968280

Oc1ccc(-c2nc(-c3ccc(Oc4ccccc4)c(Cl)c3)no2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
RAB9A P51151 5/20 0.47
TSHR P16473 3/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAP4K4 O95819 2/20 0.47
MINK1 Q8N4C8 2/20 0.47
PRKCD Q05655 1/20 0.47
HSD17B10 Q99714 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL17643543 0.88 NPC1 (0.48) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL35210426 0.86 NPC1 (0.47) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL20968185 0.85 NPC1 (0.55) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL20968186 0.85 NPC1 (0.46) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL20968319 0.85 NPC1 (0.46) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL3057263 0.82 NR1H4 (0.61) S1PR1NPC1SMN1; SMN2RAB9ATP53
SCHEMBL17629398 0.80 NPC1 (0.41) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL17629397 0.80 NPC1 (0.51) S1PR1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL5836424 0.79 NR1H4 (0.66) S1PR1NPC1SMN1; SMN2RAB9ATP53
SCHEMBL3061782 0.75 NR1H4 (0.78) S1PR1NPC1SMN1; SMN2RAB9ATSHR

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 S1PR1 2372/4885NPC1 2521/4885SMN1; SMN2 3703/4885
US-20190127340-A1 NON-BETA LACTAM ANTIBIOTICS OXA1L, O60361, CUTA S1PR1 2372/4885NPC1 2521/4885SMN1; SMN2 3703/4885

“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.