SCHEMBL6665602

SCHEMBL6665602

Cc1c(Br)ccc(Br)c1C=NO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 6/20 0.38
GFER P55789 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 5/20 0.37
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
FGF23 Q9GZV9 3/20 0.34
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL6665599 1.00 HTT (0.39) HTTALOX15HPGDGFERALDH1A1
SCHEMBL10106268 0.81 ALDH1A1 (0.34) HTTALOX15HPGDGFERALDH1A1
SCHEMBL7234146 0.80 HPGD (0.35) HTTALOX15HPGDGFERALDH1A1
SCHEMBL701220 0.80 HPGD (0.35) HTTALOX15HPGDGFERALDH1A1
SCHEMBL701221 0.80 HPGD (0.35) HTTALOX15HPGDGFERALDH1A1
SCHEMBL28008503 0.76 LMNA (0.32) HTTHPGDALDH1A1MAPTLMNA
SCHEMBL739510 0.72 RAB9A (0.42) HTTHPGDALDH1A1MAPTLMNA
SCHEMBL29209671 0.72 HPGD (0.34) HTTALOX15HPGDGFERALDH1A1
SCHEMBL30881681 0.72 HPGD (0.34) HTTALOX15HPGDGFERALDH1A1
SCHEMBL31507613 0.71 ALDH1A1 (0.44) HTTHPGDALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1131307-B1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AG (DE) 2004-08-25 EP disclosed
US-6716989-B2 CYCLIZATION OF A BENZYLOXIME WITH BRANCHED ALKENE OR OF A BENZALKYLALDEHYDE WITH HYDROXYLAMINE AND SULFIDING BASF AKTIENGESELLSCHAFT (DE) 2004-04-06 US disclosed
US-20030229232-A1 Herbicides RACK MICHAEL (DE) 2003-12-11 US disclosed
US-6603017-B2 Herbicides BASF AKTIENGESELLSCHAFT (DE) 2003-08-05 US disclosed
US-6548677-B1 Halogenating o-xylene; reacting with hydrogen peroxide and halogenating agent to form a benzyl halide; oxidation to aldehyde; oximination, cyclization, and sulfiding BASF AKTIENGESELLSCHAFT (DE) 2003-04-15 US disclosed
US-20020156290-A1 Herbicides RACK MICHAEL (DE) 2002-10-24 US disclosed
EP-1131307-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2001-09-12 EP disclosed
WO-2000029395-A1 METHOD OF PRODUCING 2-ALKYL-3-(4,5-DIHYDROISOXAZOLE-3-YL)-HALOBENZENES BASF AKTIENGESELLSCHAFT (DE) 2000-05-25 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 (2 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-20020156290-A1 Herbicides CBR3, CBR1, SULT1E1 HTT 3146/4885ALOX15 2980/4885HPGD 3739/4885
US-20030229232-A1 Herbicides CBR3, CBR1, SULT1E1 HTT 3158/4885ALOX15 3165/4885HPGD 3849/4885

“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.