SCHEMBL4799736

SCHEMBL4799736

COC(=O)C1CC(c2cccnc2)=NO1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.64
KDM4E B2RXH2 3/20 0.61
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
MAPK10 P53779 2/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
GAA P10253 2/20 0.57
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
USP2 O75604 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL892413 0.85 MIF (0.76) MIFLMNACYP1A2CYP3A4MEN1
SCHEMBL14081390 0.84 KDM4E (0.68) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4563285 0.83 KDM4E (0.63) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL2704044 0.83 POLB (0.62) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL13363942 0.83 MIF (0.74) MIFLMNACYP1A2CYP3A4CYP2D6
SCHEMBL7892245 0.82 KDM4E (0.59) KDM4ELMNAALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL4799421 0.81 KDM4E (0.58) KDM4ELMNAALDH1A1CYP1A2CYP3A4
SCHEMBL24517774 0.81 KDM4E (0.55) MIFKDM4ELMNAALDH1A1CYP1A2
SCHEMBL29846814 0.81 KDM4E (0.55) MIFKDM4ELMNAALDH1A1CYP1A2
SCHEMBL14081412 0.78 ALDH1A1 (0.82) KDM4ELMNAALDH1A1CYP1A2CYP3A4

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
WO-2010053162-A1 NON-AQUEOUS ELECTROLYSIS SOLUTION CONTAINING PYRIDYL 5-MEMBERED HETEROCYCLIC DERIVATIVE, AND LITHIUM SECONDARY BATTERY 三井化学株式会社 (JP) 2010-05-14 WO disclosed
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 MIF 2586/4885KDM4E 2853/4885LMNA 1400/4885

“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.