SCHEMBL7259223

SCHEMBL7259223

Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)ccc3s2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 5/20 0.60
ILK Q13418 3/20 0.59
MAPT P10636 4/20 0.47
KDM4E B2RXH2 3/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NFKB1 P19838 1/20 0.47
GFER P55789 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
APP P05067 2/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
CASP1 P29466 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
SCHEMBL27557191 0.90 ILK (0.59) AGPAT2ILKMAPTKDM4ENPC1
SCHEMBL7258929 0.85 ILK (0.59) AGPAT2ILKMAPTKDM4ENPC1
SCHEMBL7258482 0.82 AGPAT2 (0.56) AGPAT2ILKMAPTKDM4ENPC1
SCHEMBL7263929 0.80 AGPAT2 (0.58) AGPAT2ILKMAPTMEN1POLB
SCHEMBL3055139 0.80 MAPT (0.69) ILKMAPTKDM4ENPC1GAA
SCHEMBL1259811 0.78 KDM4E (0.69) ILKMAPTKDM4ENPC1GAA
SCHEMBL1666264 0.77 ILK (0.56) AGPAT2ILKEPHX2SCN4ADYRK1A
SCHEMBL12057939 0.76 ILK (0.59) AGPAT2ILKMAPTKDM4ENPC1
SCHEMBL7258454 0.76 AGPAT2 (1.00) AGPAT2DYRK1A
SCHEMBL687301 0.75 ILK (0.64) AGPAT2ILKMAPTKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002036580-A9 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2003-02-13 WO disclosed
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS, INC. 2002-08-08 US disclosed
WO-2002036580-A2 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 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-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 AGPAT2 49/4885ILK 3487/4885MAPT 4105/4885

“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.