SCHEMBL5126576

SCHEMBL5126576

Oc1noc2cccc(OCc3ccccc3)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 6/20 0.55
MAOB P27338 1/20 0.51
EDNRA P25101 1/20 0.51
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DCPS Q96C86 1/20 0.45
ALPG P10696 1/20 0.44
PTK2B Q14289 1/20 0.44
BRD4 O60885 2/20 0.44
LIPE Q05469 1/20 0.43
SGMS1 Q86VZ5 1/20 0.42
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 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
SCHEMBL5126449 0.85 NPC1 (0.48) SGMS2MAOBEDNRAHTR1AADRA1D
SCHEMBL21266923 0.82 SGMS2 (0.55) SGMS2MAOBEDNRABCHEACHE
SCHEMBL5115854 0.77 HTR4 (0.47) SGMS2TDP1SGMS1
SCHEMBL5121760 0.77 SGMS2 (0.36) SGMS2MAPTL3MBTL1SGMS1
SCHEMBL5506979 0.74 KCNA5 (0.47) SGMS2EDNRAMAPTMAPK1SGMS1
SCHEMBL21266925 0.72 SGMS2 (1.00) SGMS2SGMS1
SCHEMBL11643569 0.71 MAPT (0.64) SGMS2MAPTMAPK1TDP1L3MBTL1
SCHEMBL7546749 0.71 BCHE (0.60) MAOBEDNRABCHEACHEMAPT
SCHEMBL8216313 0.71 MAPT (0.69) MAOBMAPTMAPK1TDP1L3MBTL1
SCHEMBL2440688 0.70 KDR (0.46) SGMS2MAOBEDNRAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 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-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 SGMS2 2521/4885MAOB 545/4885EDNRA 512/4885

“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.