SCHEMBL4797950

SCHEMBL4797950

O=Cc1ccc(-c2nc(C3CC(c4cccnc4)=NO3)no2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.43
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA9 Q16790 2/20 0.40
CHRNB2 P17787 4/20 0.40
CHRNA5 P30532 4/20 0.40
CHRNA4 P43681 4/20 0.40
USP30 Q70CQ3 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL3969680 0.81 KDM4E (0.42) SMN1; SMN2ALDH1A1MAPTKDM4ECA9
SCHEMBL3967739 0.76 LMNA (0.39) MIFALDH1A1MAPTKDM4E
SCHEMBL12922856 0.69 KDM4E (0.44) SMN1; SMN2ALDH1A1KDM4ECA9CHRNB2
SCHEMBL3976728 0.68 MAOB (0.42) MIFS1PR1
SCHEMBL7215174 0.68 ATM (0.54) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL12922850 0.68 KDM4E (0.44) TP53SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL7450335 0.68 GAA (0.48) SMN1; SMN2ALDH1A1KDM4ECA9
SCHEMBL15062666 0.67 CHRNB2 (0.63) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL3970160 0.67 MEN1 (0.49) S1PR1
SCHEMBL6172 0.66 CYP2A6 (0.60) ALDH1A1MAPTKDM4ECA9

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 MIF 2586/4885TP53 4839/4885SMN1; SMN2 2400/4885

“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.