SCHEMBL6077535

SCHEMBL6077535

O=C(O)C1=C(O)C(=O)N(CCN2CCOCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.51
PARP1 P09874 2/20 0.45
PARP2 Q9UGN5 2/20 0.45
GLA P06280 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ACHE P22303 1/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6078915 0.93 LIPG (0.48) LIPGPARP1PARP2GLAALDH1A1
SCHEMBL6078249 0.88 PARP1 (0.45) LIPGPARP1PARP2ALDH1A1MAPT
SCHEMBL6076960 0.85 HSD17B10 (0.52) LIPGGLAALDH1A1HSD17B10KDM4E
SCHEMBL6077393 0.85 LIPG (0.39) LIPGPARP1PARP2ALDH1A1HSD17B10
SCHEMBL6078320 0.84 LIPG (0.38) LIPGPARP1ALDH1A1KDM4EMAPT
SCHEMBL6077906 0.84 LIPG (0.38) LIPGPARP1PARP2ALDH1A1
SCHEMBL6076462 0.81 LIPG (0.37) LIPGPARP1PARP2
SCHEMBL23918389 0.81 LIPG (0.46) LIPGPARP1PARP2ALDH1A1HSD17B10
SCHEMBL6078954 0.79 SMN1; SMN2 (0.47) ALDH1A1HSD17B10KDM4EMAPTKMT2A
SCHEMBL6077749 0.79 KDM4E (0.41) LIPGPARP1ALDH1A1KDM4EMAPT

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 2895/4885PARP1 65/4885PARP2 371/4885

“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.