SCHEMBL4797847

SCHEMBL4797847

O=C(C1CC(c2cccnc2)=NO1)N1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ PTAFR P25105 1/20 0.53
▸ GAA P10253 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 2/20 0.46
▸ FAAH O00519 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL2704044 0.74 POLB (0.62) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL4563285 0.71 KDM4E (0.63) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL9819800 0.70 PTAFR (0.69) KDM4EALDH1A1ALOX15PTAFRSIGMAR1
SCHEMBL7892245 0.70 KDM4E (0.59) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL4799264 0.70 ALDH1A1 (0.62) KDM4EALDH1A1GAAPOLBMAPT
SCHEMBL4169559 0.70 SIGMAR1 (0.67) KDM4EALDH1A1ALOX15SIGMAR1
Hydrochloric Acid SCHEMBL4799421 0.69 KDM4E (0.58) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL9819753 0.69 PTAFR (1.00) KDM4EALDH1A1ALOX15PTAFR
SCHEMBL15103054 0.69 KDM4E (0.55) KDM4EALDH1A1ALOX15PTAFRPOLB
Bromide SCHEMBL4174825 0.69 SIGMAR1 (0.65) KDM4EALDH1A1ALOX15SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7414048-B2 4,5-dihydro-isoxazole derivatives and their pharmaceutical use JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-19 — — US disclosed
EP-1119568-B1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA NV (BE) 2004-02-18 — — EP disclosed
US-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use FREYNE EDDY JEAN EDGARD (BE) 2004-01-29 — — US disclosed
US-6583141-B1 T cell mediated rheumatic diseases JANSSEN PHARMACEUTICA, N.V. (BE) 2003-06-24 — — US disclosed
EP-1119568-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2001-08-01 — — EP disclosed
WO-2000021959-A1 4,5-DIHYDRO-ISOXAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE JANSSEN PHARMACEUTICA N.V. (BE) 2000-04-20 — — 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-20040019059-A1 4,5-Dihydro-isoxazole derivatives and their pharmaceutical use CBR1, CYP2D6, HSD3B1 KDM4E 2853/4885ALDH1A1 396/4885ALOX15 158/4885

“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.

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