SCHEMBL4839451

SCHEMBL4839451

N#CC(c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C1 Q04828 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 2/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
TLR9 Q9NR96 1/20 0.46
ALOX12 P18054 1/20 0.46
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CES2 O00748 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
SCHEMBL9159594 0.93 ALDH1A1 (0.47) ALDH1A1LMNASMN1; SMN2NPSR1KMT2A
SCHEMBL17025529 0.84 CYP1A2 (0.47) ALDH1A1LMNAHTTKMT2AMEN1
SCHEMBL701598 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL13198785 0.80 ALDH1A1 (0.58) ALDH1A1LMNAHPGDSMN1; SMN2USP2
SCHEMBL6435879 0.80 MAPT (0.49) ALDH1A1LMNASMN1; SMN2HTTKMT2A
SCHEMBL13133365 0.79 ALDH1A1 (0.44) ALDH1A1LMNAHPGDSMN1; SMN2KMT2A
SCHEMBL5663512 0.79 ALDH1A1 (0.62) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL3695529 0.79 ALDH1A1 (0.62) ALDH1A1LMNAHPGDNPSR1KMT2A
SCHEMBL181005 0.78 TSHR (0.56) ALDH1A1LMNAHPGDSMN1; SMN2USP2
SCHEMBL1246408 0.77 ALDH1A1 (0.47) ALDH1A1LMNANPSR1KMT2AMEN1

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-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
EP-0672652-A1 Stabilizers for the prevention of polymerization of (meth)acrylic acid and esters thereof CIBA-GEIGY AG (CH) 1995-09-20 EP 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 ALDH1A1 396/4885LMNA 1400/4885HPGD 96/4885

“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.