SCHEMBL7258728

SCHEMBL7258728

N#CCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3s2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 12/20 1.00
SENP7 Q9BQF6 2/20 0.53
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
MAPT P10636 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 1/20 0.46
ABL1 P00519 2/20 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
SCHEMBL7258644 0.81 AGPAT2 (1.00) AGPAT2SENP7CASP3SENP8SENP6
SCHEMBL7262581 0.80 AGPAT2 (0.66) AGPAT2MAPTTP53
SCHEMBL7259218 0.79 AGPAT2 (1.00) AGPAT2
SCHEMBL7262550 0.77 AGPAT2 (0.82) AGPAT2SENP7CASP3SENP8SENP6
SCHEMBL7258956 0.77 AGPAT2 (0.79) AGPAT2SENP7CASP3SENP8SENP6
SCHEMBL7259118 0.77 AGPAT2 (1.00) AGPAT2MAPTTP53
SCHEMBL7263039 0.73 AGPAT2 (0.78) AGPAT2SENP7CASP3SENP8SENP6
SCHEMBL7258477 0.72 AGPAT2 (0.60) AGPAT2SENP7CASP3SENP8SENP6
SCHEMBL16208342 0.71 PTPN1 (0.56) AGPAT2MAPTRXFP1
SCHEMBL9819126 0.71 CYP3A4 (0.63) MAPTABL1

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 49/4885SENP7 3245/4885CASP3 2017/4885

“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.