SCHEMBL3097072

SCHEMBL3097072

O=C(Cc1ccc(F)cc1Cl)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
P2RX7 Q99572 8/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 3/20 0.45
HSD11B1 P28845 1/20 0.43

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
SCHEMBL966965 0.83 SIGMAR1 (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5318479 0.83 MAPT (0.57) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL1699587 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL30911087 0.81 MEN1 (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11000136 0.81 ERCC1 (0.48) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL1121618 0.81 RAB9A (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL5643080 0.80 SMN1; SMN2 (0.57) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL23755069 0.80 HPGD (0.46) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL8956355 0.80 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL29872269 0.80 HPGD (0.46) MEN1KMT2AALDH1A1MAPTKDM4E

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
CN-102382006-A Synthesis method of 2-[2-(4-fluorophenyl)-2-oxa-1-phenylethyl]-4-methyl-3-oxa-N-phenylpentanamide LIANYUNGANG HONGYE CHEMICAL CO LTD 2012-03-21 CN claimed
CN-102382006-A Synthesis method of 2-[2-(4-fluorophenyl)-2-oxa-1-phenylethyl]-4-methyl-3-oxa-N-phenylpentanamide LIANYUNGANG HONGYE CHEMICAL CO LTD 2012-03-21 CN disclosed
US-7790741-B2 Imidazothiazoles and imidazoxazoles ABBOTT LABORATORIES (US) 2010-09-07 US disclosed
EP-2068869-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES Abbott Laboratories (US) 2009-06-17 EP disclosed
US-20080161341-A1 Novel imidazothiazoles and imidazoxazoles ABBVIE INC. 2008-07-03 US disclosed
WO-2008063287-A2 NOVEL IMIDAZOTHIAZOLES AND IMIDAZOXAZOLES ABBOTT LABORATORIES (US) 2008-05-29 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-20080161341-A1 Novel imidazothiazoles and imidazoxazoles MAP3K1, MAP3K19, MAP3K5 MEN1 2408/4885KMT2A 1611/4885ALDH1A1 807/4885

“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.