SCHEMBL5115854

SCHEMBL5115854

CC(C)COc1cccc2onc(O)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.47
GPR35 Q9HC97 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HIF1A Q16665 1/20 0.37
ADRB2 P07550 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HTR2C P28335 1/20 0.35
SGMS2 Q8NHU3 3/20 0.35
SGMS1 Q86VZ5 2/20 0.35
TLR8 Q9NR97 1/20 0.35
NMT2 O60551 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
NMT1 P30419 1/20 0.34
ELANE P08246 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
SCHEMBL5506979 0.78 KCNA5 (0.47) LMNAMEN1KMT2AHIF1ASGMS2
SCHEMBL5126576 0.77 SGMS2 (0.55) TDP1SGMS2SGMS1
SCHEMBL5121760 0.77 SGMS2 (0.36) HTR4MEN1KMT2ASGMS2SGMS1
SCHEMBL5126449 0.74 NPC1 (0.48) SGMS2
SCHEMBL4957802 0.71 NFKB1 (0.46) LMNANFKB1NFKB2RELAHTR2C
SCHEMBL27378984 0.71 GABRA1 (0.45) LMNAKMT2AHIF1ANFKB1NFKB2
SCHEMBL5123206 0.71 HTR4 (0.68) HTR4TDP1
Hydrochloric Acid SCHEMBL5115458 0.70 HTR4 (0.67) HTR4TDP1
SCHEMBL11767962 0.69 ADRB2 (0.58) LMNATDP1MEN1KMT2AADRB2
SCHEMBL1053375 0.69 ALDH1A1 (0.52) LMNATDP1NFKB1NFKB2RELA

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 HTR4 3/4885GPR35 18/4885LMNA 2769/4885

“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.