SCHEMBL7258482

SCHEMBL7258482

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 4/20 0.56
GAA P10253 5/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 4/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
POLB P06746 2/20 0.53
ALDH1A1 P00352 2/20 0.53
NFKB1 P19838 1/20 0.53
GFER P55789 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.49
APP P05067 2/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL7258919 0.86 AGPAT2 (0.51) AGPAT2GAAMAPTKDM4ENPC1
SCHEMBL1259811 0.84 KDM4E (0.69) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL7259223 0.82 AGPAT2 (0.60) AGPAT2GAAMAPTKDM4ENPC1
SCHEMBL2248616 0.81 MAPT (0.58) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL4604185 0.80 MAPT (0.76) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL7258477 0.80 AGPAT2 (0.60) AGPAT2GAAMAPTKDM4ENPC1
SCHEMBL7584722 0.77 EGFR (0.54) AGPAT2GAAMAPTKDM4ENPC1
SCHEMBL2244906 0.77 MAPT (0.81) GAAMAPTKDM4ENPC1RAB9A
SCHEMBL1736048 0.77 APP (0.49) AGPAT2GAAMAPTKDM4ENPC1
SCHEMBL2244990 0.75 MAPT (0.55) GAAMAPTKDM4ENPC1RAB9A

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
WO-2002036580-A9 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2003-02-13 WO claimed
US-20020107269-A1 Benzoxazole LPAAT-B inhibitors and uses thereof CELL THERAPEUTICS, INC. 2002-08-08 US claimed
WO-2002036580-A2 BENZOXAZOLE LPAAT- BETA INHIBITORS AND USES THEREOF BONHAM LYNN (US) 2002-05-10 WO claimed
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 49/4885GAA 490/4885MAPT 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.