SCHEMBL6076915

SCHEMBL6076915

O=C(O)C1=C(O)C(=O)N(CCc2ccc(Cl)cc2Cl)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 12/20 0.48
ACHE P22303 1/20 0.47
DAO P14920 1/20 0.44
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
CNR1 P21554 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL6078569 0.85 LIPG (0.60) LIPGDAO
SCHEMBL6078575 0.83 LIPG (0.54) LIPGDAO
SCHEMBL6678646 0.81 LIPG (0.51) LIPGKDM4EALDH1A1
SCHEMBL27702693 0.76 LIPG (0.50) LIPGALDH1A1
SCHEMBL6077832 0.74 LIPG (0.44) LIPGDAOALDH1A1
SCHEMBL6077310 0.74 LIPG (0.56) LIPGACHEMAPT
SCHEMBL27723158 0.72 LIPG (0.60) LIPGALDH1A1MAPT
SCHEMBL6077604 0.71 LIPG (0.57) LIPGDAO
SCHEMBL27723159 0.71 CYP1A2 (0.53) LIPGALDH1A1MAPTSMN1; SMN2
SCHEMBL6078875 0.71 LIPG (0.45) LIPG

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
US-7109186-B2 4-hydroxy-5-oxo-1-(2-[4-methylpiperazin-1-yl]ethyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (3,4-dichlorobenzyl)-methyl-amide for human immunodeficiency virus (HIV) treatment BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-19 US disclosed
US-20040110804-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-10 US disclosed
WO-2004004657-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-01-15 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-20040110804-A1 HIV integrase inhibitors CDKN1A, SAMHD1, CTCF LIPG 2895/4885ACHE 2868/4885DAO 3255/4885

“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.