SCHEMBL4928048

SCHEMBL4928048

O=C(NCc1ccccc1)c1cc(-c2noc3ccccc23)c(O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.57
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.50
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
LMNA P02545 1/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HSP90AB1 P08238 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46

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
SCHEMBL14261870 0.82 ESR1 (0.49) HSP90AA1KMT2AMEN1MAPK1MAPT
SCHEMBL4924625 0.82 HPGD (0.53) KMT2AMEN1MAPK1LMNAKDM4E
SCHEMBL4924707 0.78 HSP90AA1 (0.58) HSP90AA1KMT2AMEN1LMNAESR1
SCHEMBL4928549 0.77 ESR1 (0.51) MAPTLMNAESR1ESR2SMN1; SMN2
SCHEMBL20677832 0.73 HSP90AA1 (1.00) HSP90AA1KMT2ALMNAHSP90AB1HPGD
SCHEMBL10336421 0.73 HSP90AA1 (0.68) HSP90AA1KMT2AMEN1MAPTMAOB
SCHEMBL4933001 0.73 ESR1 (0.52) HSP90AA1ESR1ESR2HSP90AB1KDM4E
SCHEMBL14270814 0.72 HSP90AA1 (0.50) HSP90AA1KMT2AMEN1MAPK1LMNA
SCHEMBL4928567 0.71 ESR1 (0.50) HSP90AA1KMT2AMEN1MAPTMAOB
SCHEMBL4932005 0.71 ESR1 (0.56) HSP90AA1LMNAESR1ESR2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US claimed
EP-1861381-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSTIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-12-05 EP claimed
WO-2006090052-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2006-08-31 WO claimed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
US-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer AVENTIS PHARMA S.A. (FR) 2008-03-20 US disclosed
EP-1861381-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSTIONS CONTAINING SAME AND USE THEREOF Aventis Pharma S.A. (FR) 2007-12-05 EP disclosed
WO-2006090052-A1 NOVEL 3-ARYL-1,2-BENZISOXAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF AVENTIS PHARMA S.A. (FR) 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-20080070960-A1 Novel 3-Aryl-1,2-Benzisoxazole Derivatives and Use Thereof as Medicinal Products Against Cancer UGT2B7, UGT2B17, CYP4X1 HSP90AA1 1416/4885KMT2A 2264/4885MEN1 3102/4885

“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.