SCHEMBL3827643

SCHEMBL3827643

CN1C(=O)OCc2c(F)c(NC(=O)OCc3ccccc3)cc(F)c21

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAOB P27338 1/20 0.43
F10 P00742 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
MGLL Q99685 2/20 0.40
FAAH O00519 1/20 0.40
MGAT2 Q10469 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
KAT2B Q92831 1/20 0.39
CASP3 P42574 1/20 0.39

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
SCHEMBL3826565 0.81 SMN1; SMN2 (0.47) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL6509011 0.74 F10 (0.52) NPC1RAB9AMAOBF10SMN1; SMN2
SCHEMBL6527832 0.74 NPC1 (0.52) NPC1RAB9AF10SMN1; SMN2ALDH1A1
SCHEMBL3831190 0.72 SMN1; SMN2 (0.55) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL6517565 0.72 NPC1 (0.44) NPC1RAB9AMAOBF10SMN1; SMN2
SCHEMBL5945165 0.72 MGAT2 (0.43) NPC1RAB9AMAOBF10SMN1; SMN2
SCHEMBL6512014 0.71 F13A1 (0.47) NPC1RAB9AF10SMN1; SMN2MAPT
SCHEMBL6527452 0.71 NPC1 (0.51) NPC1RAB9AMAOBSMN1; SMN2ALDH1A1
SCHEMBL6529831 0.69 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7008912 0.68 NPC1 (0.59) NPC1RAB9AMAOBSMN1; SMN2TP53

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 NPC1 3535/4885RAB9A 4433/4885MAOB 931/4885

“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.