SCHEMBL4248768

SCHEMBL4248768

CCn1ncc(C(=O)c2ccc(Cl)c(OCCNC(C)=O)c2Cl)c1OCc1ccc(Br)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
NR3C1 P04150 2/20 0.33
MAOB P27338 3/20 0.33
MAOA P21397 2/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.33
ITGB2 P05107 1/20 0.32
ICAM1 P05362 1/20 0.32
ITGAL P20701 1/20 0.32
KLKB1 P03952 1/20 0.31
LMNA P02545 1/20 0.31
TAOK1 Q7L7X3 1/20 0.31
TAOK3 Q9H2K8 1/20 0.31
GBA1 P04062 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GLA P06280 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
EGFR P00533 1/20 0.30
KDR P35968 1/20 0.30
MTNR1A P48039 1/20 0.30

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
SCHEMBL4246225 0.82 ALDH1A1 (0.37) ALDH1A1NR3C1L3MBTL1MTNR1AMTNR1B
SCHEMBL9076404 0.72 NOTUM (0.39) ALDH1A1HPGDLMNAKDM4EEGFR
SCHEMBL4244574 0.71 SMN1; SMN2 (0.34) ALDH1A1NR3C1LMNAKDM4E
SCHEMBL4245180 0.69 RAB9A (0.38) ALDH1A1NR3C1LMNA
SCHEMBL3436915 0.68 RAB9A (0.36) ALDH1A1NR3C1LMNA
SCHEMBL4244576 0.64 RAB9A (0.34) NR3C1LMNA
Ethanesulfonic Acid Amide SCHEMBL3436960 0.63 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL7057676 0.61 MEN1 (0.32) NR3C1MAOBMAOA
SCHEMBL10961245 0.61 ALKBH1 (0.41) ALDH1A1NR3C1MCL1L3MBTL1
SCHEMBL15300802 0.60 MTNR1A (0.73) ALDH1A1LMNAKDM4EL3MBTL1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-20090042730-A1 Substituted Arylketones HERRMANN STEFAN 2009-02-12 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-7456133-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2008-11-25 US disclosed
US-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use HERRMANN STEFAN 2006-11-09 US disclosed
US-7112554-B2 Substituted arylketones BAYER CROPSCIENCE AG (DE) 2006-09-26 US disclosed
US-20040176253-A1 Substitued arylketones BAYER CROPSCIENCE AG (DE) 2004-09-09 US disclosed
EP-1387831-A1 SUBSTITUTED ARYLKETONES Bayer CropScience AG (DE) 2004-02-11 EP disclosed
WO-2002090336-A1 SUBSTITUTED ARYLKETONES BAYER CROPSCIENCE AG (DE) 2002-11-14 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 (3 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-20060252647-A1 Herbicides; broad active spectrum; on soil and above ground plant parts use CYP1A1, CYP1A2, CYP4X1 ALDH1A1 54/4885NR3C1 1767/4885MAOB 205/4885
US-20040176253-A1 Substitued arylketones CYP1B1, CYP1A1, CYP2E1 ALDH1A1 15/4885NR3C1 1113/4885MAOB 821/4885
US-20090042730-A1 Substituted Arylketones CYP1A1, CYP1B1, CYP1A2 ALDH1A1 37/4885NR3C1 1849/4885MAOB 368/4885

“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.