SCHEMBL5803667

SCHEMBL5803667

O=C1OC(c2ccc(-c3ccccc3)cc2)=CC1=Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
ALDH1A1 P00352 8/20 0.47
KMT2A Q03164 9/20 0.47
MEN1 O00255 8/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
PKM P14618 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 3/20 0.44
ALOX12 P18054 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.43
RECQL P46063 1/20 0.43
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL16080106 0.79 MAPT (0.62) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10579720 0.77 MAPT (0.41) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10579718 0.77 MAPT (0.41) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9300939 0.74 KMT2A (0.69) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5805778 0.74 CSNK2A2 (0.56) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL5805775 0.74 CSNK2A2 (0.56) MAPTALDH1A1KMT2AMEN1KDM4E
SCHEMBL13492149 0.73 CISD1 (0.42) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL24345234 0.69 MAPT (0.73) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3213362 0.69 CISD1 (0.43) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL10578612 0.69 MAPT (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006083266-A1 INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-08-10 WO disclosed
US-20050250819-A1 Inhibitors of bacterial type III protein secretion systems JANSSEN PHARMACEUTICA, N.V. (BE) 2005-11-10 US 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-20050250819-A1 Inhibitors of bacterial type III protein secretion systems PSMB3, GBA3, PSMG3 MAPT 4453/4885ALDH1A1 4837/4885KMT2A 4692/4885

“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.