SCHEMBL6076429

SCHEMBL6076429

CC(C)(C)OC(=O)CON=Cc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
RECQL P46063 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PLA2G7 Q13093 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MIF P14174 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ATM Q13315 1/20 0.42
CYP1A2 P05177 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
FAAH O00519 1/20 0.41

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
SCHEMBL6076425 1.00 LMNA (0.55) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL7702094 0.82 SMN1; SMN2 (0.46) LMNARECQLSMN1; SMN2HTTMEN1
SCHEMBL12705075 0.80 SMN1; SMN2 (0.54) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL13025225 0.80 SMN1; SMN2 (0.54) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL6865977 0.80 GPR55 (0.41) LMNARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL6865973 0.80 GPR55 (0.41) LMNARECQLSMN1; SMN2MEN1KMT2A
SCHEMBL670004 0.79 PLA2G7 (0.54) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL670003 0.79 PLA2G7 (0.54) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL14077931 0.77 PLA2G7 (0.53) LMNARECQLSMN1; SMN2HTTL3MBTL1
SCHEMBL19296378 0.77 SMN1; SMN2 (0.51) LMNARECQLSMN1; SMN2HTTL3MBTL1

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 7 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
EP-1467695-A2 HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2004-10-20 EP disclosed
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 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
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 US disclosed
WO-2003049690-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-19 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 (2 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 LMNA 3521/4885RECQL 1139/4885SMN1; SMN2 4612/4885
US-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 LMNA 2590/4885RECQL 1733/4885SMN1; SMN2 3234/4885

“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.