SCHEMBL3826565

SCHEMBL3826565

CN1C(=O)OCc2cc(NC(=O)OCc3ccccc3)cc(F)c21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
ATM Q13315 1/20 0.47
ROCK2 O75116 2/20 0.46
PTGDR2 Q9Y5Y4 1/20 0.44
MGLL Q99685 2/20 0.44
POLB P06746 1/20 0.43
PTPN1 P18031 1/20 0.41
ENPP2 Q13822 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PRKDC P78527 1/20 0.40

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
SCHEMBL3831190 0.83 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL6527832 0.83 NPC1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL3827643 0.81 NPC1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL6527452 0.80 NPC1 (0.51) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL6529831 0.78 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL5283837 0.77 MGLL (0.50) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL18787217 0.75 PRKDC (0.57) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL5286245 0.74 MGLL (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL5286950 0.74 MGLL (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL6210658 0.74 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER INC. 2009-12-24 US disclosed
EP-1987025-B1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PROD INC (US) 2009-09-16 EP disclosed
EP-1987025-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pfizer Products Incorporated (US) 2008-11-05 EP disclosed
WO-2007093904-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PFIZER PRODUCTS INC. (US) 2007-08-23 WO 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-20090318431-A1 BENZOXAZINONE AND BENZOXAZEPINONE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS HRH2, HRH1, HRH4 SMN1; SMN2 4366/4885NPC1 3535/4885RAB9A 4433/4885

“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.