SCHEMBL5128533

SCHEMBL5128533

CC(C)COc1cccc(F)c1C=NO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
USP2 O75604 1/20 0.43
KAT6A Q92794 1/20 0.37
PKM P14618 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 4/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
XBP1 P17861 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL5128531 1.00 ALDH1A1 (0.43) ALDH1A1LMNAUSP2KAT6APKM
SCHEMBL10422411 0.81 LMNA (0.43) ALDH1A1LMNAUSP2PKMSMN1; SMN2
SCHEMBL10422412 0.81 LMNA (0.43) ALDH1A1LMNAUSP2PKMSMN1; SMN2
SCHEMBL5113104 0.80 KMT2A (0.39) ALDH1A1LMNAKAT6ANFKB1NFKB2
SCHEMBL1478419 0.78 HPGD (0.53) ALDH1A1LMNAUSP2SMN1; SMN2HPGD
SCHEMBL7222223 0.78 HPGD (0.53) ALDH1A1LMNAUSP2SMN1; SMN2HPGD
SCHEMBL1478416 0.78 HPGD (0.53) ALDH1A1LMNAUSP2SMN1; SMN2HPGD
SCHEMBL5116151 0.78 ALDH1A1 (0.43) ALDH1A1LMNAUSP2PKMSMN1; SMN2
SCHEMBL5116154 0.78 ALDH1A1 (0.43) ALDH1A1LMNAUSP2PKMSMN1; SMN2
SCHEMBL30975490 0.77 HPGD (0.37) ALDH1A1LMNASMN1; SMN2HPGDMAPT

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 ALDH1A1 2125/4885LMNA 2769/4885USP2 4697/4885

“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.