SCHEMBL5534392

SCHEMBL5534392

C=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])n1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MGMT P16455 1/20 0.45
ALDH1A1 P00352 1/20 0.43
PIN1 Q13526 2/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41

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
SCHEMBL5534214 0.82 S1PR4 (0.56) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2673898 0.80 NPC1 (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14332895 0.79 PIN1 (0.57) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL5530823 0.78 KMT2A (0.60) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL27081712 0.76 MAPT (0.41) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL30108290 0.76 MAPT (0.41) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL10839905 0.76 SMN1; SMN2 (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17646826 0.75 NPC1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17646828 0.75 NPC1 (0.51) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL17646918 0.75 NPC1 (0.51) NPC1RAB9AKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814888-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-08-08 EP disclosed
US-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders PFIZER INC 2006-08-03 US disclosed
WO-2006051394-A1 AZABENZOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-05-18 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-20060173179-A1 Azabenzoxazoles for the treatment of CNS disorders CHRNA7, CHRNA5, CHRNA10 NPC1 1162/4885RAB9A 1609/4885KMT2A 1072/4885

“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.