SCHEMBL7258288

SCHEMBL7258288

CCC(=O)Nc1ccc(F)c(-c2nc3cc(C)ccc3o2)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 9/20 0.77
MAPT P10636 6/20 0.67
TP53 P04637 5/20 0.67
NPC1 O15118 3/20 0.64
HPGD P15428 3/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
HSD17B10 Q99714 3/20 0.64
KDM4E B2RXH2 2/20 0.64
ALDH1A1 P00352 2/20 0.64
KDR P35968 1/20 0.63
LMNA P02545 1/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
POLB P06746 1/20 0.61
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60
SENP7 Q9BQF6 2/20 0.60

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
SCHEMBL7258887 0.87 AGPAT2 (1.00) AGPAT2MAPTTP53
SCHEMBL2244672 0.81 CASP3 (0.80) AGPAT2MAPTTP53NPC1HPGD
SCHEMBL2245533 0.80 TP53 (1.00) AGPAT2MAPTTP53NPC1HPGD
SCHEMBL7258899 0.79 AGPAT2 (0.82) AGPAT2MAPTTP53CASP3SENP8
SCHEMBL7258884 0.78 AGPAT2 (0.84) AGPAT2MAPTTP53NPC1RAB9A
SCHEMBL2242803 0.78 NPC1 (1.00) AGPAT2MAPTTP53NPC1HPGD
SCHEMBL4516984 0.76 PTGES (0.62) AGPAT2MAPTTP53NPC1HPGD
SCHEMBL2244500 0.76 KDR (0.71) AGPAT2MAPTTP53NPC1HPGD
SCHEMBL2242846 0.75 CASP3 (1.00) MAPTTP53NPC1HPGDRAB9A
SCHEMBL2240780 0.75 CHIA (0.79) MAPTTP53NPC1HPGDRAB9A

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 49/4885MAPT 4105/4885TP53 3874/4885

“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.